2-Propenoic acid, 1-methylethyl ester


Chemical Name: 2-Propenoic acid, 1-methylethyl ester
CAS Number: 689-12-3
Product Number: AG00FBX3(AGN-PC-0JKAQS)
Synonyms:
MDL No:
Molecular Formula: C6H10O2
Molecular Weight: 114.1424

Identification/Properties


Computed Properties
Molecular Weight:
114.144g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
114.068g/mol
Monoisotopic Mass:
114.068g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
94.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
Danger
UN#:
2924
Hazard Statements:
H225-H314
Precautionary Statements:
P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501
Class:
3,8
Packing Group:

NMR Spectrum


Other Analytical Data


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