2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester

CAS

69878-18-8

Catalog Number

ACM69878188

Category

Other Products

Molecular Weight

267.24

Molecular Formula

C₁₁H₁₃N₃O₅

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

2,6-diisocyanato-hexanoicaci2-isocyanatoethylester;2-ISOCYANATOETHYL 2,6-DIISOCYANATOHEXANOATE;2,6-DIISOCYANATOHEXANOIC ACID 2-ISOCYANATOETHYL ESTER;2,6-DIISOCYANATOHEXANOIC ACID 2-ISOCYANATHOETHYL ESTER;2,6-Bisisocyanatohexanoic acid 2-isocyanatoethyl ester;2,6-DIISOCYANATOHEXANOIC ACID 2-ISOCYANATOETHYL ES;2,6-Diisocyanatocaproic acid beta-isocyanatoethyl ester;2-Isocyanatoethyl 2,6-diisocyanatocaproate

Flash Point

216°C

Density

1.21

Safety Description

23-26-36

What is the molecular formula of 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester?

The molecular formula is C11H13N3O5.

What is the molecular weight of 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester?

The molecular weight is 267.24 g/mol.

What is the IUPAC name of 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester?

The IUPAC name is 2-isocyanatoethyl 2,6-diisocyanatohexanoate.

What is the InChI of 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester?

The InChI is InChI=1S/C11H13N3O5/c15-7-12-4-2-1-3-10(14-9-17)11(18)19-6-5-13-8-16/h10H,1-6H2.

What is the InChIKey of 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester?

The InChIKey is GNDOBZLRZOCGAS-UHFFFAOYSA-N.

What is the canonical SMILES of 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester?

The canonical SMILES is C(CCN=C=O)CC(C(=O)OCCN=C=O)N=C=O.

How many hydrogen bond acceptor counts does 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester have?

It has 8 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester?

The topological polar surface area is 115 Å².

Does 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester have any defined atom stereocenter counts?

No, it does not have any defined atom stereocenter counts.

Is 2,6-Diisocyanatohexanoic acid 2-isocyanatoethyl ester a canonicalized compound?

Yes, it is a canonicalized compound.