(1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid

• Catalog Number: ACMA00000552
• Category: Alkanes
• Molecular Weight: 152.19
• Hazard Statements: H225-H304-H315-H336-H410
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS02

Custom Q&A

What is the molecular formula of (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid?

The molecular formula is C9H12O2.

What is the molecular weight of (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid?

The molecular weight is 152.19 g/mol.

What is the IUPAC name of (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid?

The IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid.

What is the InChI of (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid?

The InChI is InChI=1S/C9H12O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,10,11)/t6-,7+,8+/m1/s1.

What is the InChIKey of (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid?

The InChIKey is HRVGJQMCNYJEHM-CSMHCCOUSA-N.

What is the canonical SMILES of (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid?

The canonical SMILES is C1C2CC(C1C=C2)CC(=O)O.

What is the isomeric SMILES of (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid?

The isomeric SMILES is C1[C@@H]2C[C@H]([C@H]1C=C2)CC(=O)O.

What is the CAS number of (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid?

The CAS number is 14734-13-5.

What is the XLogP3-AA value of (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid?

The XLogP3-AA value is 1.6.

Is (1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-ylacetic acid a canonicalized compound?

Yes, it is a canonicalized compound.