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115852-14-7 | 3-Furancarboxylic acid, 5-methoxy-2-phenyl-, methyl ester
CAS No: 115852-14-7 Catalog No: AG000GYV MDL No:
Product Description
Catalog Number:
AG000GYV
Chemical Name:
3-Furancarboxylic acid, 5-methoxy-2-phenyl-, methyl ester
CAS Number:
115852-14-7
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
methyl 5-methoxy-2-phenylfuran-3-carboxylate
InChI:
InChI=1S/C13H12O4/c1-15-11-8-10(13(14)16-2)12(17-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
VUYCGQOMXRGPAH-UHFFFAOYSA-N
SMILES:
COc1oc(c(c1)C(=O)OC)c1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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