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321391-97-3 | 2,3-diphenyl-octahydro-1,2-benzoxazol-4-one
CAS No: 321391-97-3 Catalog No: AG00IPIX MDL No:MFCD00974188
Product Description
Catalog Number:
AG00IPIX
Chemical Name:
2,3-diphenyl-octahydro-1,2-benzoxazol-4-one
CAS Number:
321391-97-3
Molecular Formula:
C19H19NO2
Molecular Weight:
293.3597
MDL Number:
MFCD00974188
IUPAC Name:
2,3-diphenyl-3,3a,5,6,7,7a-hexahydro-1,2-benzoxazol-4-one
InChI:
InChI=1S/C19H19NO2/c21-16-12-7-13-17-18(16)19(14-8-3-1-4-9-14)20(22-17)15-10-5-2-6-11-15/h1-6,8-11,17-19H,7,12-13H2
InChI Key:
RFCMYEBTZKSRRN-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C1C(c1ccccc1)N(O2)c1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.366g/mol
Monoisotopic Mass:
293.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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