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Structure

6,7-Isoquinolinediol,1,2,3,4-tetrahydro-2-tetradecyl-,hydrobromide

CAS
900784-91-0
Catalog Number
ACM900784910
Category
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What is the molecular formula of the compound 6,7-Isoquinolinediol,1,2,3,4-tetrahydro-2-tetradecyl-,hydrobromide?

The molecular formula is C23H40BrNO2.

What is the molecular weight of the compound?

The molecular weight is 442.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-tetradecyl-3,4-dihydro-1H-isoquinoline-6,7-diol;hydrobromide.

What is the InChIKey of the compound?

The InChIKey is IERHRKDMNVQASS-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in the compound?

There are 3 hydrogen bond donors.

How many hydrogen bond acceptor counts are there in the compound?

There are 3 hydrogen bond acceptors.

What is the exact mass of the compound?

The exact mass is 441.22424 g/mol.

How many rotatable bond counts are there in the compound?

There are 13 rotatable bonds.

What is the topological polar surface area of the compound?

The topological polar surface area is 43.7 Å2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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