Pentanoic acid,2-isocyanato-3-methyl-,methyl ester,(2S,3S)-

Catalog Number

ACM120219172

Product Name

Pentanoic acid,2-isocyanato-3-methyl-,methyl ester,(2S,3S)-

Structure

CAS

120219-17-2

Category

Heterocyclic Organic Compound

Synonyms

120219-17-2, Methyl (2S,3S)-2-Isocyanato-3-methylvalerate, (2S,3S)-2-Isocyanato-3-methylvaleric Acid Methyl Ester, AC1Q2C78, CTK4B1753, ANW-17474, ZINC02556874, AKOS006237429, AKOS015850921, AG-D-43958, KB-01317, FT-0695115, I0471, (2S,3s)-2-isocyanato-3-methyl valeric acid methyl ester, Pentanoic acid,2-isocyanato-3-methyl-, methyl ester, (2S,3S)-, Pentanoicacid, 2-isocyanato-3-methyl-, methyl ester, [S-(R*,R*)]-;

IUPAC Name

methyl (2S,3S)-2-isocyanato-3-methylpentanoate

Molecular Weight

171.19

Molecular Formula

C₈H₁₃NO₃

Canonical SMILES

CCC(C)C(C(=O)OC)N=C=O

InChI Key

OLHBZFKROSWSCI-BQBZGAKWSA-N

Boiling Point

203.1ºC at 760 mmHg

Flash Point

68.7ºC

Density

1.04

Exact Mass

171.09000

H-Bond Acceptor

4

H-Bond Donor

0

MSDS

COA

Spec Sheet