2-Methylbutyraldehyde


Chemical Name: 2-Methylbutyraldehyde
CAS Number: 96-17-3
Product Number: AG00IJQ5(AGN-PC-0WA6ZA)
Synonyms:
MDL No:
Molecular Formula: C5H10O
Molecular Weight: 86.1323

Identification/Properties


Computed Properties
Molecular Weight:
86.134g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
86.073g/mol
Monoisotopic Mass:
86.073g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
41.2
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#:
3371
Hazard Statements:
H225-H317-H319-H335
Precautionary Statements:
P210-P261-P280-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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