3-Hydroxydodecanedioic acid

CAT: 0926-JBA57469-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-JBA57469-02Size:10 mg

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CAS Number

34574-69-1

MDL Number

MFCD16619163

Smiles

C (CCCCC (=O) O) CCCC (CC (=O) O) O

Molecular Formula

C12H22O5

Molecular Weight

246.3 g/mol

Controlled

Chemical Information

3-Hydroxy-dodecanedioic acid

3-hydroxydodecanedioic acid is a hydroxy fatty acid and a dicarboxylic acid.

CAS Number	34574-69-1
PubChem CID	16663321
IUPAC Name	3-hydroxydodecanedioic acid
Molecular Formula	C12H22O5
Molecular Weight	246.30
XLogP	1.8
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	17
Formal Charge	0
Complexity	227

SMILES

C(CCCCC(=O)O)CCCC(CC(=O)O)O

InChI

InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17)

InChIKey

FYVQCLGZFXHEGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34574-69-1

CID: 16663321

Formula: C12H22O5

MW: 246.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.30
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	246.14672380
Monoisotopic Mass	246.14672380
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD33699-01	3,3-Dimethylglutaric acid
ZIB66920-01	3,3-Difluorocyclohexanecarboxylic Acid
ZFA68086-01	3,3-Dicyclopropylpropanoic acid
KAC89705	3,3-difluorocyclopentanecarboxylic acid
QDA80883-01	3,3-Dimethylhexanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
RLC35226-01	3,3-Dicyclobutylpropanoic acid
FD79195-01	3,3-Difluoropentanedioic Acid
FD33667-01	3,3-Diphenylpropionic acid

Catalog	Name
TRC-H939615-100MG	3-Hydroxydodecanedioic Acid
418333-01	2-Hydroxydodecanedioic Acid
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
C7173-1000	3,3-Dimethylglutaric acid
HY-W091636-01	3,3'-Azanediyldipropanoic acid
273432-01	3,3-Dimethylacrylic acid
289800-01	3,3-Tetramethyleneglutaric acid
TRC-D445368-50MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D473520-25G	3,3-Dimethylbutyric Acid
RG-D130510-01	3,3-Dimethoxypropanoic Acid