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23127-83-5 | 2-Furancarboxylic acid, 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-, methyl ester
CAS No: 23127-83-5 Catalog No: AG002M95 MDL No:
Product Description
Catalog Number:
AG002M95
Chemical Name:
2-Furancarboxylic acid, 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-, methyl ester
CAS Number:
23127-83-5
Molecular Formula:
C11H12O7
Molecular Weight:
256.2088
IUPAC Name:
methyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)furan-2-carboxylate
InChI:
InChI=1S/C11H12O7/c1-5(12)4-11(10(16)17-3)7(6(2)13)8(14)9(15)18-11/h14H,4H2,1-3H3
InChI Key:
TWGZLLBNCWEGDE-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC(=O)C)OC(=O)C(=C1C(=O)C)O
EC Number:
245-439-0
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.21g/mol
Monoisotopic Mass:
256.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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