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18354-41-1

18354-41-1 | 4(5H)-Oxazolone, 5-acetyl-5-methyl-2-phenyl-

CAS No: 18354-41-1 Catalog No: AG0027NP MDL No:

Product Description

Catalog Number:
AG0027NP
Chemical Name:
4(5H)-Oxazolone, 5-acetyl-5-methyl-2-phenyl-
CAS Number:
18354-41-1
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
5-acetyl-5-methyl-2-phenyl-1,3-oxazol-4-one
InChI:
InChI=1S/C12H11NO3/c1-8(14)12(2)11(15)13-10(16-12)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
HSBDGZQNCJTJMR-UHFFFAOYSA-N
SMILES:
CC(=O)C1(C)OC(=NC1=O)c1ccccc1
NSC Number:
115815

Properties

Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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