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3-Methyl-2-butenal

CAS No.:
107-86-8
Catalog Number:
AG0033R1
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
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Product Description
Catalog Number:
AG0033R1
Chemical Name:
3-Methyl-2-butenal
CAS Number:
107-86-8
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00010291
IUPAC Name:
3-methylbut-2-enal
InChI:
InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChI Key:
SEPQTYODOKLVSB-UHFFFAOYSA-N
SMILES:
O=CC=C(C)C
EC Number:
203-527-6
UNII:
2JZ2B60W76
NSC Number:
149164
FEMA Number:
3646
UN Number:
1989
Properties
Complexity:
68  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
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Properties