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120-61-6 | 1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester
CAS No: 120-61-6 Catalog No: AG000Q0O MDL No:MFCD00008440
Product Description
Catalog Number:
AG000Q0O
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester
CAS Number:
120-61-6
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00008440
IUPAC Name:
dimethyl benzene-1,4-dicarboxylate
InChI:
InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
InChI Key:
WOZVHXUHUFLZGK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)OC
EC Number:
204-411-8
UNII:
IKZ2470UNV
NSC Number:
3503
RTECS Number:
WZ1225000
UN Number:
2811
Properties
Complexity:
192
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:
2.2
Literature
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