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5958-02-1 | 3-(4-METHOXYPHENYL)PYRIDINE
CAS No: 5958-02-1 Catalog No: AG00EBP6 MDL No:MFCD06801825
Product Description
Catalog Number:
AG00EBP6
Chemical Name:
3-(4-METHOXYPHENYL)PYRIDINE
CAS Number:
5958-02-1
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD06801825
IUPAC Name:
3-(4-methoxyphenyl)pyridine
InChI:
InChI=1S/C12H11NO/c1-14-12-6-4-10(5-7-12)11-3-2-8-13-9-11/h2-9H,1H3
InChI Key:
BNRHRNXOYYLECZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cccnc1
Properties
Complexity:
164
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:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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