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89667-16-3 | Benzoic acid, 4-(hydroxy-3-pyridinylmethyl)-, methyl ester
CAS No: 89667-16-3 Catalog No: AG0043I3 MDL No:
Product Description
Catalog Number:
AG0043I3
Chemical Name:
Benzoic acid, 4-(hydroxy-3-pyridinylmethyl)-, methyl ester
CAS Number:
89667-16-3
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
methyl 4-[hydroxy(pyridin-3-yl)methyl]benzoate
InChI:
InChI=1S/C14H13NO3/c1-18-14(17)11-6-4-10(5-7-11)13(16)12-3-2-8-15-9-12/h2-9,13,16H,1H3
InChI Key:
TUYCYGNNTNWZFQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(c1cccnc1)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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