3-[(dimethylamino)methyl]-4-methoxybenzoic acid hydrochloride

3-[(dimethylamino)methyl]-4-methoxybenzoic acid hydrochloride

CAS: 1185303-02-9

Formula: C11H16ClNO3

SMILES: Cl.COC1=C(CN(C)C)C=C(C=C1)C(O)=O

IUPAC: 3-[(dimethylamino)methyl]-4-methoxybenzoic acid hydrochloride

InChI: InChI=1S/C11H15NO3.ClH/c1-12(2)7-9-6-8(11(13)14)4-5-10(9)15-3;/h4-6H,7H2,1-3H3,(H,13,14);1H

Composition: C (53.77%), H (6.56%), Cl (14.43%), N (5.70%), O (19.53%)

Molar Mass: 245.7

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.0818711
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RVIADJYZYLLVQR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.32
Topological Polar Surface Area	49.77
Polarizability	22.22
Ring Count	1
Rotatable Bond Count	4

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95%	<2 Days	1185303-02-9		$267.38-$411.76$267.38$411.76