1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

Name: 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
SKU: ACM96197363
Rating: 5 (1 reviews)

CAS

96197-36-3

Catalog Number

ACM96197363

Category

Other Products

Molecular Weight

228.246580 [g/mol]

Molecular Formula

C₁₃H₁₂N₂O₂

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Specification

Synonyms

1-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid, 96197-36-3, AC1Q746M, CTK3I6072, MolPort-002-471-551, AKOS009102339, AG-H-95021, MCULE-6532627663, EN300-25737, 3-Cyclopentapyrazolecarboxylicacid, 1,4,5,6-tetrahydro-1-phenyl-

IUPAC Name

1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

InChI Key

GLJYJHLGZYJNJK-UHFFFAOYSA-N

Boiling Point

428.9ºC at 760mmHg

Flash Point

213.2ºC

Density

1.37g/cm³

Exact Mass

228.09000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?

The molecular formula is C13H12N2O2.

What is the molecular weight of 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?

The molecular weight is 228.25 g/mol.

What is the IUPAC name of 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?

The IUPAC name is 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid.

What is the InChI of 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?

The InChI is InChI=1S/C13H12N2O2/c16-13(17)12-10-7-4-8-11(10)15(14-12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17).

What is the InChIKey of 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?

The InChIKey is GLJYJHLGZYJNJK-UHFFFAOYSA-N.

What is the Canonical SMILES of 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?

The Canonical SMILES is C1CC2=C(C1)N(N=C2C(=O)O)C3=CC=CC=C3.

What is the CAS number of 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?

The CAS number is 96197-36-3.

How many hydrogen bond donor counts does 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?

The topological polar surface area is 55.1 Å².

Is 1-Phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid a canonicalized compound?

Yes, it is a canonicalized compound.