Divarinic Acid

CAT: 1596-AR-D02012-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D02012-01Size:10 Units

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CAS Number

4707-50-0

Synonyms

2,4-dihydroxy-6-propylbenzoic acid;6-Propyl-b-resorcylic Acid, (7CI,8CI) ; 2,4-Dihydroxy-6-propylbenzoic Acid; Divaric Acid

Molecular Formula

C10H12O4

Molecular Weight

196.2

API Name

Divarinic Acid

Chemical Information

2,4-Dihydroxy-6-propylbenzoic acid

Divaric acid is a hydroxybenzoic acid.

CAS Number	4707-50-0
PubChem CID	20834
IUPAC Name	2,4-dihydroxy-6-propylbenzoic acid
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	2.6
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	204

SMILES

CCCC1=C(C(=CC(=C1)O)O)C(=O)O

InChI

InChI=1S/C10H12O4/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14)

InChIKey

RIVVNGIVVYEIRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4707-50-0

CID: 20834

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P03267-01	Pyrazinoic Acid (Pyrazinecarboxylic Acid)
AR-H01202-01	Hydroquinonesulfonic Acid (Dobesilic Acid)
AR-A05406-01	Acetic Acid Isobutyric Acid Anhydride
AR-A05407-01	Acetic Acid Butyric Acid Anhydride
AR-F09711-01	Docosanoic Acid-d3 (Behenic Acid-d3)
AR-F09706-01	Dodecanoic Acid-d2 (Lauric Acid-d2)
AR-E09459-01	9 (Z) -Eicosenoic Acid (Gadoleic Acid)
AR-P03268-01	Pyrazinoic Acid-d3 (Pyrazinecarboxylic Acid-d3)
AR-M01254-01	Mefenamic Acid Impurity D (Benzoic Acid)
AR-F09712-01	Docosanoic Acid-d4 (Behenic Acid-d4)

Catalog	Name
447440-01	Divarinic Acid
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)