Hexanoic acid, 2,6-diisocyanato-, methyl ester


Chemical Name: Hexanoic acid, 2,6-diisocyanato-, methyl ester
CAS Number: 4460-02-0
Product Number: AG0037UN(AGN-PC-0C7MD9)
Synonyms:
MDL No:
Molecular Formula: C9H12N2O4
Molecular Weight: 212.2026

Identification/Properties


Computed Properties
Molecular Weight:
212.205g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
212.08g/mol
Monoisotopic Mass:
212.08g/mol
Topological Polar Surface Area:
85.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
291
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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