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102169-71-1 | 3-Furancarboxylic acid, 5-forMyl-, Methyl ester
CAS No: 102169-71-1 Catalog No: AG009S4C MDL No:MFCD22069937
Product Description
Catalog Number:
AG009S4C
Chemical Name:
3-Furancarboxylic acid, 5-forMyl-, Methyl ester
CAS Number:
102169-71-1
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
MDL Number:
MFCD22069937
IUPAC Name:
methyl 5-formylfuran-3-carboxylate
InChI:
InChI=1S/C7H6O4/c1-10-7(9)5-2-6(3-8)11-4-5/h2-4H,1H3
InChI Key:
RKSNUGDDGDFSRP-UHFFFAOYSA-N
SMILES:
COC(=O)c1coc(c1)C=O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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