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1787-23-1 | 5(4H)-Oxazolone, 4-[[4-(dimethylamino)phenyl]methylene]-2-methyl-
CAS No: 1787-23-1 Catalog No: AG00269B MDL No:MFCD00501269
Product Description
Catalog Number:
AG00269B
Chemical Name:
5(4H)-Oxazolone, 4-[[4-(dimethylamino)phenyl]methylene]-2-methyl-
CAS Number:
1787-23-1
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD00501269
IUPAC Name:
(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-methyl-1,3-oxazol-5-one
InChI:
InChI=1S/C13H14N2O2/c1-9-14-12(13(16)17-9)8-10-4-6-11(7-5-10)15(2)3/h4-8H,1-3H3/b12-8-
InChI Key:
UZJOKNWPCVCPLB-WQLSENKSSA-N
SMILES:
CC1=NC(=Cc2ccc(cc2)N(C)C)C(=O)O1
NSC Number:
636399
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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