3-amino-4-ethylbenzoic acid

3-amino-4-ethylbenzoic acid

CAS: 5129-23-7

Formula: C9H11NO2

SMILES: CCC1=C(N)C=C(C=C1)C(O)=O

IUPAC: 3-amino-4-ethylbenzoic acid

InChI: InChI=1S/C9H11NO2/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2,10H2,1H3,(H,11,12)

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LLZSVDFDTYGEEG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.66
Topological Polar Surface Area	63.32
Polarizability	17.4
Ring Count	1
Rotatable Bond Count	2

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