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13129-23-2 | 3-Furancarboxylic acid, methyl ester
CAS No: 13129-23-2 Catalog No: AG000VV9 MDL No:MFCD06203671
Product Description
Catalog Number:
AG000VV9
Chemical Name:
3-Furancarboxylic acid, methyl ester
CAS Number:
13129-23-2
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
MDL Number:
MFCD06203671
IUPAC Name:
methyl furan-3-carboxylate
InChI:
InChI=1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3
InChI Key:
ZKHQSQYLKSSYIP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cocc1
UNII:
V05P3H54N5
NSC Number:
305748
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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