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1000342-08-4 | 1,2-Benzenedicarboxylic acid, 4-amino-, 2-methyl ester
CAS No: 1000342-08-4 Catalog No: AG0000IZ MDL No:
Product Description
Catalog Number:
AG0000IZ
Chemical Name:
1,2-Benzenedicarboxylic acid, 4-amino-, 2-methyl ester
CAS Number:
1000342-08-4
Molecular Formula:
C9H8NO4-
Molecular Weight:
194.1641
IUPAC Name:
4-amino-2-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-14-9(13)7-4-5(10)2-3-6(7)8(11)12/h2-4H,10H2,1H3,(H,11,12)
InChI Key:
QYIMVQNDYUAYTM-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccc(cc1C(=O)OC)N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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