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29602-00-4 | 1,4-Benzenedicarboxylic acid, 2-hydroxy-, 4-methyl ester
CAS No: 29602-00-4 Catalog No: AG002YV1 MDL No:
Product Description
Catalog Number:
AG002YV1
Chemical Name:
1,4-Benzenedicarboxylic acid, 2-hydroxy-, 4-methyl ester
CAS Number:
29602-00-4
Molecular Formula:
C9H7O5-
Molecular Weight:
195.1489
IUPAC Name:
2-hydroxy-4-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H8O5/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4,10H,1H3,(H,11,12)
InChI Key:
GZKDVWHMQIMEQU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)O)C(=O)[O-]
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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