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620-95-1 | Pyridine, 3-(phenylmethyl)-
CAS No: 620-95-1 Catalog No: AG00IAYH MDL No:MFCD00006408
Product Description
Catalog Number:
AG00IAYH
Chemical Name:
Pyridine, 3-(phenylmethyl)-
CAS Number:
620-95-1
Molecular Formula:
C12H11N
Molecular Weight:
169.2224
MDL Number:
MFCD00006408
IUPAC Name:
3-benzylpyridine
InChI:
InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2
InChI Key:
UUCLVSDUMKMBSM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cc1cccnc1
EC Number:
210-661-9
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.227g/mol
Monoisotopic Mass:
169.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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