6-Isocyanato-hexanoic acid methyl ester

• Catalog Number: ACMA00002701
• Category: Ethers
• Molecular Weight: 171.19
• Molecular Formula: C₈H₁₂ClNO₂
• Hazard Statements: H302
• RIDADR: UN 1993C 3 / PGIII
• Symbol: GHS07

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is methyl 6-isocyanatohexanoate.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H13NO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 171.19 g/mol.

What is the InChI of the compound?

InChI=1S/C8H13NO3/c1-12-8(11)5-3-2-4-6-9-7-10/h2-6H2,1H3

What is the InChIKey of the compound?

The InChIKey of the compound is GDUIXXVCMDFRFQ-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is COC(=O)CCCCCN=C=O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.9.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 7 rotatable bond counts.