3-[2-(methylamino)ethyl]benzoic acid

3-[2-(methylamino)ethyl]benzoic acid

CAS: 1199774-30-5

Formula: C10H13NO2

SMILES: CNCCC1=CC=CC(=C1)C(O)=O

IUPAC: 3-[2-(methylamino)ethyl]benzoic acid

InChI: InChI=1S/C10H13NO2/c1-11-6-5-8-3-2-4-9(7-8)10(12)13/h2-4,7,11H,5-6H2,1H3,(H,12,13)

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	3
Hydrogen Bond Donor Count	2
InChIKey	JRZFVFLDOWMUGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.32
Topological Polar Surface Area	49.33
Polarizability	19.62
Ring Count	1
Rotatable Bond Count	4

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