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1159826-57-9 | 3-Piperidinone, 2-ethyl-, hydrochloride (1:1)
CAS No: 1159826-57-9 Catalog No: AG000HCN MDL No:
Product Description
Catalog Number:
AG000HCN
Chemical Name:
3-Piperidinone, 2-ethyl-, hydrochloride (1:1)
CAS Number:
1159826-57-9
Molecular Formula:
C7H14ClNO
Molecular Weight:
163.6452
IUPAC Name:
2-ethylpiperidin-3-one;hydrochloride
InChI:
InChI=1S/C7H13NO.ClH/c1-2-6-7(9)4-3-5-8-6;/h6,8H,2-5H2,1H3;1H
InChI Key:
RKYYSPXEELHYRU-UHFFFAOYSA-N
SMILES:
CCC1NCCCC1=O.Cl
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.076g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.645g/mol
Monoisotopic Mass:
163.076g/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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