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80269-76-7 | 2-Azetidinone, 4-cyclohexylidene-1,3,3-triphenyl-
CAS No: 80269-76-7 Catalog No: AG00542D MDL No:
Product Description
Catalog Number:
AG00542D
Chemical Name:
2-Azetidinone, 4-cyclohexylidene-1,3,3-triphenyl-
CAS Number:
80269-76-7
Molecular Formula:
C27H25NO
Molecular Weight:
379.4935
IUPAC Name:
4-cyclohexylidene-1,3,3-triphenylazetidin-2-one
InChI:
InChI=1S/C27H25NO/c29-26-27(22-15-7-2-8-16-22,23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)28(26)24-19-11-4-12-20-24/h2-4,7-12,15-20H,1,5-6,13-14H2
InChI Key:
NSFOESNOXOTWGO-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C(=C2CCCCC2)C1(c1ccccc1)c1ccccc1
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.194g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.503g/mol
Monoisotopic Mass:
379.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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