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198084-13-8 | Benzenemethanol, 4-(5-pyrimidinyl)-
CAS No: 198084-13-8 Catalog No: AG002B9Y MDL No:MFCD06802874
Product Description
Catalog Number:
AG002B9Y
Chemical Name:
Benzenemethanol, 4-(5-pyrimidinyl)-
CAS Number:
198084-13-8
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD06802874
IUPAC Name:
(4-pyrimidin-5-ylphenyl)methanol
InChI:
InChI=1S/C11H10N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-6,8,14H,7H2
InChI Key:
QPOIDCHBWLGFGU-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1cncnc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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