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2073-32-7 | 2H-Azepin-2-one, hexahydro-3-methyl-
CAS No: 2073-32-7 Catalog No: AG002IYS MDL No:
Product Description
Catalog Number:
AG002IYS
Chemical Name:
2H-Azepin-2-one, hexahydro-3-methyl-
CAS Number:
2073-32-7
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
3-methylazepan-2-one
InChI:
InChI=1S/C7H13NO/c1-6-4-2-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)
InChI Key:
FGSUUFDRDVJCLT-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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