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67867-24-7 | 5(4H)-Oxazolone, 4-(1-methylpropylidene)-2-phenyl-, (Z)-
CAS No: 67867-24-7 Catalog No: AG005P7Z MDL No:
Product Description
Catalog Number:
AG005P7Z
Chemical Name:
5(4H)-Oxazolone, 4-(1-methylpropylidene)-2-phenyl-, (Z)-
CAS Number:
67867-24-7
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
4-butan-2-ylidene-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C13H13NO2/c1-3-9(2)11-13(15)16-12(14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChI Key:
SUOLWWYAEIYNRG-UHFFFAOYSA-N
SMILES:
CC/C(=C/1\N=C(OC1=O)c1ccccc1)/C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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