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17851-53-5

17851-53-5 | 1,2-Benzenedicarboxylic acid, 1-butyl 2-(2-methylpropyl) ester

CAS No: 17851-53-5 Catalog No: AG002657 MDL No:MFCD11114531

Product Description

Catalog Number:
AG002657
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-butyl 2-(2-methylpropyl) ester
CAS Number:
17851-53-5
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
MDL Number:
MFCD11114531
IUPAC Name:
1-O-butyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChI Key:
UVIVWIFUPKGWGF-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccccc1C(=O)OCC(C)C
EC Number:
241-802-2

Properties

Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.152g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.348g/mol
Monoisotopic Mass:
278.152g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Literature

Title Journal
Synthesis of butyl-isobutyl-phthalate and its interaction with α-glucosidase in vitro. Journal of biochemistry 20110101
[The inhibitory effect of Hydrilla verticillata culture water on Microcystic aeruginosa and its mechanism]. Zhi wu sheng li yu fen zi sheng wu xue xue bao = Journal of plant physiology and molecular biology 20061201

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