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1624260-67-8 | Benzeneacetic acid, 4-(3-pyridinyl)-, methyl ester
CAS No: 1624260-67-8 Catalog No: AG001T3T MDL No:
Product Description
Catalog Number:
AG001T3T
Chemical Name:
Benzeneacetic acid, 4-(3-pyridinyl)-, methyl ester
CAS Number:
1624260-67-8
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
methyl 2-(4-pyridin-3-ylphenyl)acetate
InChI:
InChI=1S/C14H13NO2/c1-17-14(16)9-11-4-6-12(7-5-11)13-3-2-8-15-10-13/h2-8,10H,9H2,1H3
InChI Key:
JGMFKXOIKBNSOF-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)c1cccnc1
Properties
Complexity:
247
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:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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