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76315-20-3 | 5(4H)-Oxazolone, 2-methyl-4-(3-pyridinylmethylene)-
CAS No: 76315-20-3 Catalog No: AG00ICQ8 MDL No:MFCD00457206
Product Description
Catalog Number:
AG00ICQ8
Chemical Name:
5(4H)-Oxazolone, 2-methyl-4-(3-pyridinylmethylene)-
CAS Number:
76315-20-3
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00457206
IUPAC Name:
2-methyl-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C10H8N2O2/c1-7-12-9(10(13)14-7)5-8-3-2-4-11-6-8/h2-6H,1H3
InChI Key:
MONMGLBZOWLFBG-UHFFFAOYSA-N
SMILES:
CC1=N/C(=C\c2cccnc2)/C(=O)O1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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