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13729-77-6 | 4-Piperidinone, 2-methyl-, hydrochloride (1:1)
CAS No: 13729-77-6 Catalog No: AG001321 MDL No:MFCD08669336
Product Description
Catalog Number:
AG001321
Chemical Name:
4-Piperidinone, 2-methyl-, hydrochloride (1:1)
CAS Number:
13729-77-6
Molecular Formula:
C6H12ClNO
Molecular Weight:
149.6186
MDL Number:
MFCD08669336
IUPAC Name:
2-methylpiperidin-4-one;hydrochloride
InChI:
InChI=1S/C6H11NO.ClH/c1-5-4-6(8)2-3-7-5;/h5,7H,2-4H2,1H3;1H
InChI Key:
ACXLFVKOKDSUOU-UHFFFAOYSA-N
SMILES:
CC1NCCC(=O)C1.Cl
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.061g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.618g/mol
Monoisotopic Mass:
149.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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