5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid

Catalog Number

ACMA00001019

Category

Amines

Molecular Weight

205.25

Molecular Formula

C₁₂H₁₃N₃S

MSDS COA Spec Sheet

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Specification

Hazard Statements

H302-H319

RIDADR

NONH for all modes of transport

Symbol

GHS07

What is the molecular formula of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid?

The molecular formula of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid is C12H15NO2.

What is the molecular weight of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid?

The molecular weight of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid is 205.25 g/mol.

What is the IUPAC name of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid?

The IUPAC name of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid is 5-amino-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid.

What is the InChI of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid?

The InChI of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid is InChI=1S/C12H15NO2/c13-12(11(14)15)8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7H,3-4,6,8,13H2,(H,14,15).

What is the InChIKey of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid?

The InChIKey of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid is OHTWNHRAUQJEQT-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid?

The canonical SMILES of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid is C1CCC(C2=CC=CC=C2C1)(C(=O)O)N.

What is the XLogP3-AA value of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid?

The XLogP3-AA value of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid is -0.6.

How many hydrogen bond donor counts does 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid have?

5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid have?

5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid?

The topological polar surface area of 5-Amino-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylic acid is 63.3Å².