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132655-67-5 | 1,7,9-Decanetricarboxylic acid, 7-methyl-
CAS No: 132655-67-5 Catalog No: AG0010Y4 MDL No:
Product Description
Catalog Number:
AG0010Y4
Chemical Name:
1,7,9-Decanetricarboxylic acid, 7-methyl-
CAS Number:
132655-67-5
Molecular Formula:
C14H24O6
Molecular Weight:
288.3368
IUPAC Name:
1,3-dimethylnonane-1,3,9-tricarboxylic acid
InChI:
InChI=1S/C14H24O6/c1-10(12(17)18)9-14(2,13(19)20)8-6-4-3-5-7-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)
InChI Key:
SOKQNFRUHLVLHI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCC(C(=O)O)(CC(C(=O)O)C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.34g/mol
Monoisotopic Mass:
288.157g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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