2-acetamido-4-methylpent-4-enoic acid


Chemical Name: 2-acetamido-4-methylpent-4-enoic acid
CAS Number: 87325-65-3
Product Number: AG00H0X3(AGN-PC-000QO6)
Synonyms:
MDL No:
Molecular Formula: C8H13NO3
Molecular Weight: 171.1937

Identification/Properties


Computed Properties
Molecular Weight:
171.196g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
171.09g/mol
Monoisotopic Mass:
171.09g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
210
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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