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90927-67-6 | Hexanedioic acid, 3,4-bis(carboxymethyl)-
CAS No: 90927-67-6 Catalog No: AG006GF8 MDL No:
Product Description
Catalog Number:
AG006GF8
Chemical Name:
Hexanedioic acid, 3,4-bis(carboxymethyl)-
CAS Number:
90927-67-6
Molecular Formula:
C10H14O8
Molecular Weight:
262.2134
IUPAC Name:
3,4-bis(carboxymethyl)hexanedioic acid
InChI:
InChI=1S/C10H14O8/c11-7(12)1-5(2-8(13)14)6(3-9(15)16)4-10(17)18/h5-6H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChI Key:
QQWFRNMWRBGVMU-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(CC(=O)O)CC(=O)O)CC(=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:
262.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.214g/mol
Monoisotopic Mass:
262.069g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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