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454678-91-2 | 4-(1,3-Thiazol-2-yl)benzyl alcohol
CAS No: 454678-91-2 Catalog No: AG00DD50 MDL No:MFCD09064950
Product Description
Catalog Number:
AG00DD50
Chemical Name:
4-(1,3-Thiazol-2-yl)benzyl alcohol
CAS Number:
454678-91-2
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
MDL Number:
MFCD09064950
IUPAC Name:
[4-(1,3-thiazol-2-yl)phenyl]methanol
InChI:
InChI=1S/C10H9NOS/c12-7-8-1-3-9(4-2-8)10-11-5-6-13-10/h1-6,12H,7H2
InChI Key:
QOLUYHARONOGNO-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1nccs1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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