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131-11-3

131-11-3 | 1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester

CAS No: 131-11-3 Catalog No: AG000VAK MDL No:MFCD00008425

Product Description

Catalog Number:
AG000VAK
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester
CAS Number:
131-11-3
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00008425
IUPAC Name:
dimethyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChI Key:
NIQCNGHVCWTJSM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(=O)OC
EC Number:
205-011-6
UNII:
08X7F5UDJM
NSC Number:
15398
RTECS Number:
TI1575000
UN Number:
3082

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

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Migration of surrogate contaminants in paper and paperboard into water through polyethylene coating layer. Food additives and contaminants 20021201
Phthalates in underground waters of the Zagreb area. Croatian medical journal 20020801
A laboratory study of coronal microleakage using four temporary restorative materials. International endodontic journal 20020401
Phthalate esters detected in various water samples and biodegradation of the phthalates by microbes isolated from river water. Biological & pharmaceutical bulletin 20020201
Selection of test chemicals for the ECVAM international validation study on in vitro embryotoxicity tests. European Centre for the Validation of Alternative Methods. Alternatives to laboratory animals : ATLA 20020101
Effect and mechanism of inorganic carbon on the biodegradation of dimethyl phthalate by Chlorella pyrenoidosa. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20020101
Solid-phase microextraction of phthalates from water. Journal of chromatography. A 20011214
Methyl ethyl ketone peroxide ingestion: toxicity and outcome in a 6-year-old child. Pediatrics 20010801
An assessment of the toxicity of phthalate esters to freshwater benthos. 1. Aqueous exposures. Environmental toxicology and chemistry 20010801
Kinetics of phthalate reactions with ammonium hydroxide in aqueous matrix. Water research 20010401
Initial degradation of dimethylphthalate by esterases from Bacillus species. FEMS microbiology letters 20010315
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens. Chemical research in toxicology 20010301
Degradation of dimethylphthalate by cells of Bacillus sp. immobilized in calcium alginate and polyurethane foam. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20010101

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