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2294-74-8 | 2-Pyridineethanol, α-phenyl-
CAS No: 2294-74-8 Catalog No: AG002LLI MDL No:MFCD00452732
Product Description
Catalog Number:
AG002LLI
Chemical Name:
2-Pyridineethanol, α-phenyl-
CAS Number:
2294-74-8
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD00452732
IUPAC Name:
1-phenyl-2-pyridin-2-ylethanol
InChI:
InChI=1S/C13H13NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-9,13,15H,10H2
InChI Key:
NPVKVVBMSCQGAS-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)Cc1ccccn1
EC Number:
218-936-5
NSC Number:
9497
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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