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78877-57-3 | 2-Azetidinone, 4-methyl-3-methylene-1-(phenylmethyl)-
CAS No: 78877-57-3 Catalog No: AG00552W MDL No:
Product Description
Catalog Number:
AG00552W
Chemical Name:
2-Azetidinone, 4-methyl-3-methylene-1-(phenylmethyl)-
CAS Number:
78877-57-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
1-benzyl-4-methyl-3-methylideneazetidin-2-one
InChI:
InChI=1S/C12H13NO/c1-9-10(2)13(12(9)14)8-11-6-4-3-5-7-11/h3-7,10H,1,8H2,2H3
InChI Key:
NLLVANTYKPBSBI-UHFFFAOYSA-N
SMILES:
CC1C(=C)C(=O)N1Cc1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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