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101670-85-3 | 1,3-Benzenedicarboxylic acid, 2-hydroxy-, 1-methyl ester
CAS No: 101670-85-3 Catalog No: AG00055P MDL No:
Product Description
Catalog Number:
AG00055P
Chemical Name:
1,3-Benzenedicarboxylic acid, 2-hydroxy-, 1-methyl ester
CAS Number:
101670-85-3
Molecular Formula:
C9H7O5-
Molecular Weight:
195.1489
IUPAC Name:
2-carboxy-6-methoxycarbonylphenolate
InChI:
InChI=1S/C9H8O5/c1-14-9(13)6-4-2-3-5(7(6)10)8(11)12/h2-4,10H,1H3,(H,11,12)/p-1
InChI Key:
MBMIMBPSXVDDRT-UHFFFAOYSA-M
SMILES:
COC(=O)c1cccc(c1O)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:
195.029g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.15g/mol
Monoisotopic Mass:
195.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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