methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate hydrochloride

methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate hydrochloride

CAS: 54503-20-7

Formula: C12H18ClNO4

SMILES: Cl.COC(=O)CC(N)C1=CC(OC)=C(OC)C=C1

IUPAC: methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate hydrochloride

InChI: InChI=1/C12H17NO4.ClH/c1-15-10-5-4-8(6-11(10)16-2)9(13)7-12(14)17-3;/h4-6,9H,7,13H2,1-3H3;1H

Composition: C (52.27%), H (6.58%), Cl (12.86%), N (5.08%), O (23.21%)

Molar Mass: 275.73

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	275.0924358
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VQJYRSLAXYCOFG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.68
Topological Polar Surface Area	70.78
Polarizability	25.04
Ring Count	1
Rotatable Bond Count	6

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