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294862-16-1 | Ethanone, 1-(2-methylene-4-phenyl-1-azetidinyl)-
CAS No: 294862-16-1 Catalog No: AG002YIT MDL No:
Product Description
Catalog Number:
AG002YIT
Chemical Name:
Ethanone, 1-(2-methylene-4-phenyl-1-azetidinyl)-
CAS Number:
294862-16-1
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
1-(2-methylidene-4-phenylazetidin-1-yl)ethanone
InChI:
InChI=1S/C12H13NO/c1-9-8-12(13(9)10(2)14)11-6-4-3-5-7-11/h3-7,12H,1,8H2,2H3
InChI Key:
BKPXAANMOXPTLO-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(=C)CC1c1ccccc1
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:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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