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19858-02-7 | 2H-Azepin-2-one, hexahydro-1-phenyl-
CAS No: 19858-02-7 Catalog No: AG002BMW MDL No:
Product Description
Catalog Number:
AG002BMW
Chemical Name:
2H-Azepin-2-one, hexahydro-1-phenyl-
CAS Number:
19858-02-7
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
1-phenylazepan-2-one
InChI:
InChI=1S/C12H15NO/c14-12-9-5-2-6-10-13(12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChI Key:
PPBBOELSIAPOOU-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN1c1ccccc1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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