2-amino-3,4,5-trimethoxybenzoic acid

2-amino-3,4,5-trimethoxybenzoic acid

CAS: 61948-85-4

Formula: C10H13NO5

SMILES: COC1=CC(C(O)=O)=C(N)C(OC)=C1OC

IUPAC: 2-amino-3,4,5-trimethoxybenzoic acid

InChI: InChI=1S/C10H13NO5/c1-14-6-4-5(10(12)13)7(11)9(16-3)8(6)15-2/h4H,11H2,1-3H3,(H,12,13)

Composition: C (52.86%), H (5.77%), N (6.16%), O (35.21%)

Molar Mass: 227.216

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.079372523
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	JSHSRQCOCMIIPA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.4
Topological Polar Surface Area	91.01
Polarizability	21.47
Ring Count	1
Rotatable Bond Count	4

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