Butanoic acid, methyl-


Chemical Name: Butanoic acid, methyl-
CAS Number: 116-53-0
Product Number: AG000BCK(AGN-PC-0A6MA6)
Synonyms:
MDL No:
Molecular Formula: C5H10O2
Molecular Weight: 102.1317

Identification/Properties


Computed Properties
Molecular Weight:
102.133g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
102.068g/mol
Monoisotopic Mass:
102.068g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
68.5
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:
Danger
UN#:
3265
Hazard Statements:
H227-H302+H312-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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