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66414-18-4 | Phenol, 4-(4-pyridinylmethyl)-
CAS No: 66414-18-4 Catalog No: AG01DTF2 MDL No:MFCD02647551
Product Description
Catalog Number:
AG01DTF2
Chemical Name:
Phenol, 4-(4-pyridinylmethyl)-
CAS Number:
66414-18-4
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD02647551
IUPAC Name:
4-(pyridin-4-ylmethyl)phenol
InChI:
InChI=1S/C12H11NO/c14-12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8,14H,9H2
InChI Key:
FQNZRIMTMGOVMD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1ccncc1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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