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114406-42-7 | 3-Furancarboxylic acid, 2,4-dimethyl-5-phenyl-, methyl ester
CAS No: 114406-42-7 Catalog No: AG000B98 MDL No:
Product Description
Catalog Number:
AG000B98
Chemical Name:
3-Furancarboxylic acid, 2,4-dimethyl-5-phenyl-, methyl ester
CAS Number:
114406-42-7
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
IUPAC Name:
methyl 2,4-dimethyl-5-phenylfuran-3-carboxylate
InChI:
InChI=1S/C14H14O3/c1-9-12(14(15)16-3)10(2)17-13(9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChI Key:
FWYGJXRAZBWTNF-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)oc(c1C)c1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.263g/mol
Monoisotopic Mass:
230.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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