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1378729-97-5 | 1H-imidazol-2-yl(thiophen-2-yl)methanol
CAS No: 1378729-97-5 Catalog No: AG01ACQV MDL No:MFCD20686329
Product Description
Catalog Number:
AG01ACQV
Chemical Name:
1H-imidazol-2-yl(thiophen-2-yl)methanol
CAS Number:
1378729-97-5
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD20686329
IUPAC Name:
1H-imidazol-2-yl(thiophen-2-yl)methanol
InChI:
InChI=1S/C8H8N2OS/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h1-5,7,11H,(H,9,10)
InChI Key:
ZQSWKNKGXXCQEA-UHFFFAOYSA-N
SMILES:
OC(c1ncc[nH]1)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:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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