3,5-diamino-4-methylbenzoic acid

3,5-diamino-4-methylbenzoic acid

CAS: 6633-36-9

Formula: C8H10N2O2

SMILES: CC1=C(N)C=C(C=C1N)C(O)=O

IUPAC: 3,5-diamino-4-methylbenzoic acid

InChI: InChI=1S/C8H10N2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,9-10H2,1H3,(H,11,12)

Composition: C (57.82%), H (6.07%), N (16.86%), O (19.26%)

Molar Mass: 166.18

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.07422757
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	KNWUVCLZVAITFP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.76
Topological Polar Surface Area	89.34
Polarizability	16.73
Ring Count	1
Rotatable Bond Count	1

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