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1-amino-3-phenylpropan-2-one hydrochloride

1-amino-3-phenylpropan-2-one hydrochloride

CAS: 41173-00-6

Formula: C9H12ClNO

SMILES: Cl.NCC(=O)CC1=CC=CC=C1

IUPAC: 1-amino-3-phenylpropan-2-one hydrochloride

InChI: InChI=1S/C9H11NO.ClH/c10-7-9(11)6-8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H

Composition: C (58.23%), H (6.52%), Cl (19.09%), N (7.54%), O (8.62%)

Molar Mass: 185.65

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.0607417
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MSVQNSAIHJTFHR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.28
Topological Polar Surface Area 43.09
Polarizability 17.46
Ring Count 1
Rotatable Bond Count 3

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