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13190-76-6 | 1,3-Cyclopentanedicarboxylic acid, 4,5-bis(acetyloxy)-, (1R,3S,4R,5S)-rel-
CAS No: 13190-76-6 Catalog No: AG000ZW4 MDL No:
Product Description
Catalog Number:
AG000ZW4
Chemical Name:
1,3-Cyclopentanedicarboxylic acid, 4,5-bis(acetyloxy)-, (1R,3S,4R,5S)-rel-
CAS Number:
13190-76-6
Molecular Formula:
C11H14O8
Molecular Weight:
274.2241
IUPAC Name:
4,5-diacetyloxycyclopentane-1,3-dicarboxylic acid
InChI:
InChI=1S/C11H14O8/c1-4(12)18-8-6(10(14)15)3-7(11(16)17)9(8)19-5(2)13/h6-9H,3H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
SMYLFRVBFUHHII-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](C[C@H]1C(=O)O)C(=O)O
NSC Number:
107383
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.225g/mol
Monoisotopic Mass:
274.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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