ethyl 3-amino-4-methylbenzoate

ethyl 3-amino-4-methylbenzoate

CAS: 41191-92-8

Formula: C10H13NO2

SMILES: CCOC(=O)C1=CC(N)=C(C)C=C1

IUPAC: ethyl 3-amino-4-methylbenzoate

InChI: InChI=1S/C10H13NO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3,11H2,1-2H3

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.094628663
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MCNBNDUVWQEKNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.57
Topological Polar Surface Area	52.32
Polarizability	19.49
Ring Count	1
Rotatable Bond Count	3

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