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1260658-56-7 | 4-Piperidinone, 3-(cyclopropylmethyl)-, hydrochloride (1:1)
CAS No: 1260658-56-7 Catalog No: AG000R01 MDL No:
Product Description
Catalog Number:
AG000R01
Chemical Name:
4-Piperidinone, 3-(cyclopropylmethyl)-, hydrochloride (1:1)
CAS Number:
1260658-56-7
Molecular Formula:
C9H16ClNO
Molecular Weight:
189.6824
IUPAC Name:
3-(cyclopropylmethyl)piperidin-4-one;hydrochloride
InChI:
InChI=1S/C9H15NO.ClH/c11-9-3-4-10-6-8(9)5-7-1-2-7;/h7-8,10H,1-6H2;1H
InChI Key:
BKWXKFOAULRMBQ-UHFFFAOYSA-N
SMILES:
O=C1CCNCC1CC1CC1.Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.092g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.683g/mol
Monoisotopic Mass:
189.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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