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119155-04-3 | 2-Furancarboxylic acid, 4,5-dimethyl-, ethyl ester
CAS No: 119155-04-3 Catalog No: AG000IA6 MDL No:
Product Description
Catalog Number:
AG000IA6
Chemical Name:
2-Furancarboxylic acid, 4,5-dimethyl-, ethyl ester
CAS Number:
119155-04-3
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
ethyl 4,5-dimethylfuran-2-carboxylate
InChI:
InChI=1S/C9H12O3/c1-4-11-9(10)8-5-6(2)7(3)12-8/h5H,4H2,1-3H3
InChI Key:
PVNABQXJWGCCGH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc(c(c1)C)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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