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113436-12-7 | 1,4-Dioxaspiro[4.5]decane-7,9-dicarboxylic acid, cis- (9CI)
CAS No: 113436-12-7 Catalog No: AG0008KV MDL No:
Product Description
Catalog Number:
AG0008KV
Chemical Name:
1,4-Dioxaspiro[4.5]decane-7,9-dicarboxylic acid, cis- (9CI)
CAS Number:
113436-12-7
Molecular Formula:
C10H14O6
Molecular Weight:
230.2146
IUPAC Name:
1,4-dioxaspiro[4.5]decane-7,9-dicarboxylic acid
InChI:
InChI=1S/C10H14O6/c11-8(12)6-3-7(9(13)14)5-10(4-6)15-1-2-16-10/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChI Key:
QKLYYXRDSDTGNU-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H](CC2(C1)OCCO2)C(=O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.216g/mol
Monoisotopic Mass:
230.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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