methyl 2-amino-5-cyano-3-methylbenzoate

methyl 2-amino-5-cyano-3-methylbenzoate

CAS: 1032667-87-0

Formula: C10H10N2O2

SMILES: COC(=O)C1=C(N)C(C)=CC(=C1)C#N

IUPAC: methyl 2-amino-5-cyano-3-methylbenzoate

InChI: InChI=1S/C10H10N2O2/c1-6-3-7(5-11)4-8(9(6)12)10(13)14-2/h3-4H,12H2,1-2H3

Composition: C (63.15%), H (5.30%), N (14.73%), O (16.82%)

Molar Mass: 190.202

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	190.07422757
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UHFVZQIOQVEYQM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.55
Topological Polar Surface Area	76.11
Polarizability	19.5
Ring Count	1
Rotatable Bond Count	2

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