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1917-16-4 | 2-Furancarboxylic acid, 5-(phenylmethyl)-
CAS No: 1917-16-4 Catalog No: AG002FFB MDL No:MFCD00449344
Product Description
Catalog Number:
AG002FFB
Chemical Name:
2-Furancarboxylic acid, 5-(phenylmethyl)-
CAS Number:
1917-16-4
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
MDL Number:
MFCD00449344
IUPAC Name:
5-benzylfuran-2-carboxylic acid
InChI:
InChI=1S/C12H10O3/c13-12(14)11-7-6-10(15-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
InChI Key:
OYAHUAHATRUQAN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)Cc1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Metalloform-selective inhibition: synthesis and structure-activity analysis of Mn(II)-form-selective inhibitors of Escherichia coli methionine aminopeptidase. | Bioorganic & medicinal chemistry letters 20051215 |
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