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15667-65-9 | 2H-Azepin-2-one, hexahydro-, hydrochloride (1:1)
CAS No: 15667-65-9 Catalog No: AG001OWQ MDL No:
Product Description
Catalog Number:
AG001OWQ
Chemical Name:
2H-Azepin-2-one, hexahydro-, hydrochloride (1:1)
CAS Number:
15667-65-9
Molecular Formula:
C6H12ClNO
Molecular Weight:
149.6186
IUPAC Name:
azepan-2-one;hydrochloride
InChI:
InChI=1S/C6H11NO.ClH/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);1H
InChI Key:
FVTYXGRQEGSJTH-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN1.Cl
Properties
Complexity:
90.5
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:
1
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:
0
Undefined Bond Stereocenter Count:
0
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