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128305-67-9 | Hexanedioic acid, 2-hydroxy-2-methyl-
CAS No: 128305-67-9 Catalog No: AG000XYQ MDL No:
Product Description
Catalog Number:
AG000XYQ
Chemical Name:
Hexanedioic acid, 2-hydroxy-2-methyl-
CAS Number:
128305-67-9
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
IUPAC Name:
2-hydroxy-2-methylhexanedioic acid
InChI:
InChI=1S/C7H12O5/c1-7(12,6(10)11)4-2-3-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)
InChI Key:
NVJLQZVQKLCNRP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(C(=O)O)(O)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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