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CB10-277

CAT: 0013-GTR19208785-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208785-02Size:50 mg
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Description
CB10-277
CAS Number
7203-91-0
Field of Research
Cell Biology, Molecular Biology
Smiles
CN (C) \N=N\C1=CC=C (C=C1) C (O) =O
Molecular Formula
C9H11N3O2
Molecular Weight
193.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(3,3-Dimethyl-1-triazen-1-yl)benzoic acid

See also: 1-(4-Carboxyphenyl)-3,3-dimethyltriazene (annotation moved to).

CAS Number7203-91-0
PubChem CID23606
IUPAC Name4-(dimethylaminodiazenyl)benzoic acid
Molecular FormulaC9H11N3O2
Molecular Weight193.20
XLogP1.9
Topological Polar Surface Area65.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity220
SMILES
CN(C)N=NC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H11N3O2/c1-12(2)11-10-8-5-3-7(4-6-8)9(13)14/h3-6H,1-2H3,(H,13,14)
InChIKey
GUAZPUYTLMUTMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3,3-Dimethyl-1-triazen-1-yl)benzoic acid
CAS: 7203-91-0
CID: 23606
Formula: C9H11N3O2
MW: 193.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight193.20
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass193.085126602
Monoisotopic Mass193.085126602
Topological Polar Surface Area65.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes