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27598-96-5 | Butanal, ethenyl-
CAS No: 27598-96-5 Catalog No: AG002U6W MDL No:
Product Description
Catalog Number:
AG002U6W
Chemical Name:
Butanal, ethenyl-
CAS Number:
27598-96-5
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
IUPAC Name:
2-ethylbut-3-enal
InChI:
InChI=1S/C6H10O/c1-3-6(4-2)5-7/h3,5-6H,1,4H2,2H3
InChI Key:
CBECDWUDYQOTSW-UHFFFAOYSA-N
SMILES:
CCC(C=O)C=C
Properties
Complexity:
66.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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