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2-Hydroxyadipic acid

CAT: 0127-BUP02107-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02107-03Size:10 mg
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CAS Number
18294-85-4
Synonyms
(2S) -2-hydroxy-hexanedioic acid, 2-hydroxyhexanedioic acid
Purity
=95%
Smiles
O=C(O)CCCC(O)C(=O)O

Chemical Information

2-Hydroxyadipic acid

2-hydroxyadipic acid is an adipic acid derivative having a 2-hydroxy substituent. It is a dicarboxylic fatty acid and a 2-hydroxydicarboxylic acid. It is functionally related to an adipic acid. It is a conjugate acid of a 2-hydroxyadipate(2-).

CAS Number18294-85-4
PubChem CID193530
IUPAC Name2-hydroxyhexanedioic acid
Molecular FormulaC6H10O5
Molecular Weight162.14
XLogP-0.6
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
C(CC(C(=O)O)O)CC(=O)O
InChI
InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKey
OTTXIFWBPRRYOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyadipic acid
CAS: 18294-85-4
CID: 193530
Formula: C6H10O5
MW: 162.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.14
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass162.05282342
Monoisotopic Mass162.05282342
Topological Polar Surface Area94.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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