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68100-02-7 | 5(4H)-Oxazolone, 2-methyl-4-(2-naphthalenylmethylene)-
CAS No: 68100-02-7 Catalog No: AG00605Y MDL No:
Product Description
Catalog Number:
AG00605Y
Chemical Name:
5(4H)-Oxazolone, 2-methyl-4-(2-naphthalenylmethylene)-
CAS Number:
68100-02-7
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
2-methyl-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C15H11NO2/c1-10-16-14(15(17)18-10)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,1H3
InChI Key:
MPEYDEJAPRRZJZ-UHFFFAOYSA-N
SMILES:
CC1=NC(=Cc2ccc3c(c2)cccc3)C(=O)O1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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