Butanoic acid, 3-methyl-


Chemical Name: Butanoic acid, 3-methyl-
CAS Number: 503-74-2
Product Number: AG003R5S(AGN-PC-0BRQ3J)
Synonyms:
MDL No:
Molecular Formula: C5H10O2
Molecular Weight: 102.1317

Identification/Properties


Properties
MP:
-35 °C
BP:
175-177°C
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.403(lit.)
Solubility:
48g/l
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:
66.5
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:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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