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122132-58-5 | 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-methylene-, ethyl ester
CAS No: 122132-58-5 Catalog No: AG0016U8 MDL No:
Product Description
Catalog Number:
AG0016U8
Chemical Name:
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-methylene-, ethyl ester
CAS Number:
122132-58-5
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
ethyl 5-methyl-2-methylidene-3H-furan-4-carboxylate
InChI:
InChI=1S/C9H12O3/c1-4-11-9(10)8-5-6(2)12-7(8)3/h2,4-5H2,1,3H3
InChI Key:
FNJJTCRDPIXDRK-UHFFFAOYSA-N
SMILES:
CC1=C(CC(=C)O1)C(=O)OCC
Properties
Complexity:
251
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:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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