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51246-77-6 | (4-Hydroxyphenyl)(4-pyridyl)methanone
CAS No: 51246-77-6 Catalog No: AG003BW1 MDL No:MFCD18969651
Product Description
Catalog Number:
AG003BW1
Chemical Name:
(4-Hydroxyphenyl)(4-pyridyl)methanone
CAS Number:
51246-77-6
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD18969651
IUPAC Name:
(4-hydroxyphenyl)-pyridin-4-ylmethanone
InChI:
InChI=1S/C12H9NO2/c14-11-3-1-9(2-4-11)12(15)10-5-7-13-8-6-10/h1-8,14H
InChI Key:
LLLTWNAZYHQOLL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)c1ccncc1
EC Number:
257-081-2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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