2-amino-3,5-dimethoxybenzoic acid

2-amino-3,5-dimethoxybenzoic acid

CAS: 79263-00-6

Formula: C9H11NO4

SMILES: COC1=CC(OC)=C(N)C(=C1)C(O)=O

IUPAC: 2-amino-3,5-dimethoxybenzoic acid

InChI: InChI=1S/C9H11NO4/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4H,10H2,1-2H3,(H,11,12)

Composition: C (54.82%), H (5.62%), N (7.10%), O (32.45%)

Molar Mass: 197.19

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.068807838
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OACFQDBLYWKDMK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.94
Topological Polar Surface Area	81.78
Polarizability	18.91
Ring Count	1
Rotatable Bond Count	3

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