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Structure

Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride,3,6-dimethyl-,(1alpha,6alpha,7beta)-(9ci)

CAS
98973-72-9
Catalog Number
ACM98973729
Category
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What is the molecular formula of Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride,3,6-dimethyl-, (1alpha,6alpha,7beta)-(9ci)?

The molecular formula is C10H13ClO.

When was the PubChem CID 179159 created?

It was created on 2005-08-09.

What is the IUPAC name of Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride?

The IUPAC name is (1R,6R,7S)-3,6-dimethylbicyclo[4.1.0]hept-2-ene-7-carbonyl chloride.

What is the Canonical SMILES representation of Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride?

The Canonical SMILES is CC1=CC2C(C2(CC1)C)C(=O)Cl.

How many hydrogen bond acceptor count does Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride have?

It has 1 hydrogen bond acceptor count.

What is the exact mass of Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride?

The exact mass is 184.0654927 g/mol.

Is Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride a canonicalized compound?

Yes, the compound is canonicalized.

What is the XLogP3-AA value of Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride?

The XLogP3-AA value is 2.6.

How many defined atom stereocenter counts does Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride have?

It has 3 defined atom stereocenter counts.

What is the topological polar surface area of Bicyclo[4.1.0]hept-2-ene-7-carbonyl chloride?

The topological polar surface area is 17.1 Ų.

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