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146407-32-1 | 3H-Azepin-3-one, hexahydro-1-(phenylmethyl)-
CAS No: 146407-32-1 Catalog No: AG001DZT MDL No:MFCD10568165
Product Description
Catalog Number:
AG001DZT
Chemical Name:
3H-Azepin-3-one, hexahydro-1-(phenylmethyl)-
CAS Number:
146407-32-1
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
MDL Number:
MFCD10568165
IUPAC Name:
1-benzylazepan-3-one
InChI:
InChI=1S/C13H17NO/c15-13-8-4-5-9-14(11-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChI Key:
HGWZSFXXGQVVAQ-UHFFFAOYSA-N
SMILES:
O=C1CCCCN(C1)Cc1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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