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1354918-21-0 | 3-(thiophen-2-yl)-1,2-oxazol-5-ol
CAS No: 1354918-21-0 Catalog No: AG00JSRD MDL No:MFCD21334946
Product Description
Catalog Number:
AG00JSRD
Chemical Name:
3-(thiophen-2-yl)-1,2-oxazol-5-ol
CAS Number:
1354918-21-0
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
MDL Number:
MFCD21334946
IUPAC Name:
3-thiophen-2-yl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C7H5NO2S/c9-7-4-5(8-10-7)6-2-1-3-11-6/h1-4,8H
InChI Key:
UMWZZEMNPSYNBV-UHFFFAOYSA-N
SMILES:
Oc1onc(c1)c1cccs1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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