CAS 1293284-55-5

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Also known as: 1293284-55-5, 826-805-4, Benzoic acid, 5-methoxy-2-(2h-1,2,3-triazol-2-yl)-, Schembl1586099, Ex-a7809d, Ofurcffcwjmvkq-uhfffaoysa-n

Molecular Formula

C₁₀H₉N₃O₃

Molecular Weight

219.20 g/mol

InChI Key

OFURCFFCWJMVKQ-UHFFFAOYSA-N

1 2D Structure

CAS 1293284-55-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methoxy-2-(triazol-2-yl)benzoic acid

2.1.2 InChI

InChI=1S/C10H9N3O3/c1-16-7-2-3-9(8(6-7)10(14)15)13-11-4-5-12-13/h2-6H,1H3,(H,14,15)

2.1.3 InChI Key

OFURCFFCWJMVKQ-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1293284-55-5

2. 826-805-4

3. Benzoic Acid, 5-methoxy-2-(2h-1,2,3-triazol-2-yl)-

4. Schembl1586099

5. Ex-a7809d

6. Ofurcffcwjmvkq-uhfffaoysa-n

7. Dtxsid301241737

8. Mfcd24480170

9. At32806

10. Sy326806

11. Db-333069

12. 5-methoxy-2-[1,2,3]triazol-2-yl-benzoic Acid

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉N₃O₃
Molecular Weight	219.20 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	77.2
Heavy Atom Count	16
Formal Charge	0
Complexity	256
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