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1245648-13-8 | 4-Piperidinone, 2-phenyl-, hydrochloride (1:1)
CAS No: 1245648-13-8 Catalog No: AG000MBJ MDL No:MFCD11100370
Product Description
Catalog Number:
AG000MBJ
Chemical Name:
4-Piperidinone, 2-phenyl-, hydrochloride (1:1)
CAS Number:
1245648-13-8
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
MDL Number:
MFCD11100370
IUPAC Name:
2-phenylpiperidin-4-one;hydrochloride
InChI:
InChI=1S/C11H13NO.ClH/c13-10-6-7-12-11(8-10)9-4-2-1-3-5-9;/h1-5,11-12H,6-8H2;1H
InChI Key:
QFGWZXKRGKBJQR-UHFFFAOYSA-N
SMILES:
O=C1CCNC(C1)c1ccccc1.Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.689g/mol
Monoisotopic Mass:
211.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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