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6141-57-7 | Methyl 3-methylfuran-2-carboxylate
CAS No: 6141-57-7 Catalog No: AG003RSW MDL No:MFCD00014110
Product Description
Catalog Number:
AG003RSW
Chemical Name:
Methyl 3-methylfuran-2-carboxylate
CAS Number:
6141-57-7
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
MDL Number:
MFCD00014110
IUPAC Name:
methyl 3-methylfuran-2-carboxylate
InChI:
InChI=1S/C7H8O3/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChI Key:
AQQYRDKMXXSIMP-UHFFFAOYSA-N
SMILES:
COC(=O)c1occc1C
EC Number:
228-131-0
NSC Number:
508754
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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