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136599-11-6 | 2,4(3H,5H)-Furandione, 3-acetyl-5-methyl-, (5S)- (9CI)
CAS No: 136599-11-6 Catalog No: AG00125F MDL No:
Product Description
Catalog Number:
AG00125F
Chemical Name:
2,4(3H,5H)-Furandione, 3-acetyl-5-methyl-, (5S)- (9CI)
CAS Number:
136599-11-6
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
(5S)-3-acetyl-5-methyloxolane-2,4-dione
InChI:
InChI=1S/C7H8O4/c1-3(8)5-6(9)4(2)11-7(5)10/h4-5H,1-2H3/t4-,5?/m0/s1
InChI Key:
AWDQUGUAPKMRFX-ROLXFIACSA-N
SMILES:
C[C@@H]1OC(=O)C(C1=O)C(=O)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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