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194491-44-6 | [5-(2-THIENYL)-3-ISOXAZOLYL]METHANOL
CAS No: 194491-44-6 Catalog No: AG00AL03 MDL No:MFCD03086162
Product Description
Catalog Number:
AG00AL03
Chemical Name:
[5-(2-THIENYL)-3-ISOXAZOLYL]METHANOL
CAS Number:
194491-44-6
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD03086162
IUPAC Name:
(5-thiophen-2-yl-1,2-oxazol-3-yl)methanol
InChI:
InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2
InChI Key:
HUAGDHXVPCSWLD-UHFFFAOYSA-N
SMILES:
OCc1noc(c1)c1cccs1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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