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881383-21-7 | 3-Furancarboxylic acid, 5-ethenyltetrahydro-2-oxo-, methyl ester
CAS No: 881383-21-7 Catalog No: AG004H4Z MDL No:
Product Description
Catalog Number:
AG004H4Z
Chemical Name:
3-Furancarboxylic acid, 5-ethenyltetrahydro-2-oxo-, methyl ester
CAS Number:
881383-21-7
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
IUPAC Name:
methyl 5-ethenyl-2-oxooxolane-3-carboxylate
InChI:
InChI=1S/C8H10O4/c1-3-5-4-6(7(9)11-2)8(10)12-5/h3,5-6H,1,4H2,2H3
InChI Key:
HDUTUOKGDKQIKK-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(OC1=O)C=C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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