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219322-57-3 | Z-2-METHYL-4-(NAPHTHALEN-2-YLMETHYLENE)OXAZOL-5(4H)-ONE
CAS No: 219322-57-3 Catalog No: AG00C1BH MDL No:MFCD01313634
Product Description
Catalog Number:
AG00C1BH
Chemical Name:
Z-2-METHYL-4-(NAPHTHALEN-2-YLMETHYLENE)OXAZOL-5(4H)-ONE
CAS Number:
219322-57-3
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD01313634
IUPAC Name:
(4Z)-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/b14-9-
InChI Key:
MPEYDEJAPRRZJZ-ZROIWOOFSA-N
SMILES:
CC1=N/C(=C\c2ccc3c(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:
1
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:
0
XLogP3:
3.2
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