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167300-06-3 | 1,3-Benzenedicarboxylic acid, 4-methyl-, 3-methyl ester
CAS No: 167300-06-3 Catalog No: AG001X9S MDL No:MFCD03265441
Product Description
Catalog Number:
AG001X9S
Chemical Name:
1,3-Benzenedicarboxylic acid, 4-methyl-, 3-methyl ester
CAS Number:
167300-06-3
Molecular Formula:
C10H9O4-
Molecular Weight:
193.1761
MDL Number:
MFCD03265441
IUPAC Name:
3-methoxycarbonyl-4-methylbenzoic acid
InChI:
InChI=1S/C10H10O4/c1-6-3-4-7(9(11)12)5-8(6)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChI Key:
FLYZXCACBSFFHE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1C)C(=O)[O-]
Properties
Complexity:
236
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:
1
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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