4-Pentenoic acid, 3-hydroxy-, 1,1-dimethylethyl ester


Chemical Name: 4-Pentenoic acid, 3-hydroxy-, 1,1-dimethylethyl ester
CAS Number: 122763-67-1
Product Number: AG000JFH(AGN-PC-00FSAH)
Synonyms:
MDL No:
Molecular Formula: C9H16O3
Molecular Weight: 172.2215

Identification/Properties


Computed Properties
Molecular Weight:
172.224g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
172.11g/mol
Monoisotopic Mass:
172.11g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
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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