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16466-65-2 | Heptanedioic acid, 4-(carboxymethyl)-
CAS No: 16466-65-2 Catalog No: AG001V0O MDL No:
Product Description
Catalog Number:
AG001V0O
Chemical Name:
Heptanedioic acid, 4-(carboxymethyl)-
CAS Number:
16466-65-2
Molecular Formula:
C9H14O6
Molecular Weight:
218.2039
IUPAC Name:
4-(carboxymethyl)heptanedioic acid
InChI:
InChI=1S/C9H14O6/c10-7(11)3-1-6(5-9(14)15)2-4-8(12)13/h6H,1-5H2,(H,10,11)(H,12,13)(H,14,15)
InChI Key:
QPIFZPARRHSLFV-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CCC(=O)O)CCC(=O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.205g/mol
Monoisotopic Mass:
218.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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