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89000-97-5 | 5(4H)-Oxazolone, 2-methyl-4-(3-thienylmethylene)-, (Z)-
CAS No: 89000-97-5 Catalog No: AG00455B MDL No:
Product Description
Catalog Number:
AG00455B
Chemical Name:
5(4H)-Oxazolone, 2-methyl-4-(3-thienylmethylene)-, (Z)-
CAS Number:
89000-97-5
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
IUPAC Name:
2-methyl-4-(thiophen-3-ylmethylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C9H7NO2S/c1-6-10-8(9(11)12-6)4-7-2-3-13-5-7/h2-5H,1H3
InChI Key:
AKRFVTFRRIGKNO-UHFFFAOYSA-N
SMILES:
CC1=N/C(=C\c2cscc2)/C(=O)O1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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