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1243245-69-3 | Benzeneacetic acid, 4-(2-methyl-4-pyridinyl)-
CAS No: 1243245-69-3 Catalog No: AG000LU9 MDL No:MFCD22201168
Product Description
Catalog Number:
AG000LU9
Chemical Name:
Benzeneacetic acid, 4-(2-methyl-4-pyridinyl)-
CAS Number:
1243245-69-3
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD22201168
IUPAC Name:
2-[4-(2-methylpyridin-4-yl)phenyl]acetic acid
InChI:
InChI=1S/C14H13NO2/c1-10-8-13(6-7-15-10)12-4-2-11(3-5-12)9-14(16)17/h2-8H,9H2,1H3,(H,16,17)
InChI Key:
UCPQVNYTDUMFJH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)c1ccnc(c1)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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