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1333695-51-4 | [2-(thiophen-2-yl)-1,3-oxazol-5-yl]methanol
CAS No: 1333695-51-4 Catalog No: AG01AIVP MDL No:MFCD19686237
Product Description
Catalog Number:
AG01AIVP
Chemical Name:
[2-(thiophen-2-yl)-1,3-oxazol-5-yl]methanol
CAS Number:
1333695-51-4
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD19686237
IUPAC Name:
(2-thiophen-2-yl-1,3-oxazol-5-yl)methanol
InChI:
InChI=1S/C8H7NO2S/c10-5-6-4-9-8(11-6)7-2-1-3-12-7/h1-4,10H,5H2
InChI Key:
BAEODGXBHHBFIF-UHFFFAOYSA-N
SMILES:
OCc1cnc(o1)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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