4-amino-3-(methoxycarbonyl)benzoic acid

4-amino-3-(methoxycarbonyl)benzoic acid

CAS: 41684-07-5

Formula: C9H9NO4

SMILES: COC(=O)C1=CC(=CC=C1N)C(O)=O

IUPAC: 4-amino-3-(methoxycarbonyl)benzoic acid

InChI: InChI=1S/C9H9NO4/c1-14-9(13)6-4-5(8(11)12)2-3-7(6)10/h2-4H,10H2,1H3,(H,11,12)

Composition: C (55.39%), H (4.65%), N (7.18%), O (32.79%)

Molar Mass: 195.174

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.053157774
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XEOVONVMDYDZRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.04
Topological Polar Surface Area	89.62
Polarizability	18.31
Ring Count	1
Rotatable Bond Count	3

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