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128031-95-8 | 2-Furancarboxylic acid, 3-phenyl-, ethyl ester
CAS No: 128031-95-8 Catalog No: AG000XPR MDL No:
Product Description
Catalog Number:
AG000XPR
Chemical Name:
2-Furancarboxylic acid, 3-phenyl-, ethyl ester
CAS Number:
128031-95-8
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
ethyl 3-phenylfuran-2-carboxylate
InChI:
InChI=1S/C13H12O3/c1-2-15-13(14)12-11(8-9-16-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
NTCHPUITSYBMCV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1occc1c1ccccc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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