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Structure

(S)-(+)-Ketopinic Acid

CAS
40724-67-2
Catalog Number
ACM40724672
Category
Other Products
Molecular Weight
182.22
Molecular Formula
C10H14O3

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Specification

Synonyms
(S)-7,7-DIMETHYL-2-OXO-BICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID;(S)-(+)-KETOPINIC ACID;(1S)-(+)-KETOPINIC ACID;(1S)-(+)-KETOPINIC ACID 97+%;(1s)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid;Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-;rac-(1S*,4R*)-2-Oxobornane-10-oic acid;(1S,4R)-2-Oxobornane-10-oic acid
Boiling Point
313.3 °C at 760 mmHg
Melting Point
237-239°C(lit.)
Hazard Statements
Xi
Safety Description
26-36
Supplemental Hazard Statements
H315-H319-H335
Symbol
GHS07
What is the molecular formula of (S)-(+)-Ketopinic acid?

The molecular formula of (S)-(+)-Ketopinic acid is C10H14O3.

What are the synonyms of (S)-(+)-Ketopinic acid?

The synonyms of (S)-(+)-Ketopinic acid are (+)-Ketopinic acid, (1S)-(+)-Ketopinic acid, and 40724-67-2.

What is the molecular weight of (S)-(+)-Ketopinic acid?

The molecular weight of (S)-(+)-Ketopinic acid is 182.22 g/mol.

What is the IUPAC name of (S)-(+)-Ketopinic acid?

The IUPAC name of (S)-(+)-Ketopinic acid is (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid.

What is the InChI of (S)-(+)-Ketopinic acid?

The InChI of (S)-(+)-Ketopinic acid is InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1.

What is the InChIKey of (S)-(+)-Ketopinic acid?

The InChIKey of (S)-(+)-Ketopinic acid is WDODWBQJVMBHCO-LDWIPMOCSA-N.

What is the canonical SMILES of (S)-(+)-Ketopinic acid?

The canonical SMILES of (S)-(+)-Ketopinic acid is CC1(C2CCC1(C(=O)C2)C(=O)O)C.

What is the XLogP3-AA value of (S)-(+)-Ketopinic acid?

The XLogP3-AA value of (S)-(+)-Ketopinic acid is 2.

Is (S)-(+)-Ketopinic acid a canonicalized compound?

Yes, (S)-(+)-Ketopinic acid is a canonicalized compound.

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