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20521-42-0 | 2-Butenal, 2-ethenyl-
CAS No: 20521-42-0 Catalog No: AG0029YN MDL No:
Product Description
Catalog Number:
AG0029YN
Chemical Name:
2-Butenal, 2-ethenyl-
CAS Number:
20521-42-0
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
IUPAC Name:
(E)-2-ethenylbut-2-enal
InChI:
InChI=1S/C6H8O/c1-3-6(4-2)5-7/h3-5H,1H2,2H3/b6-4+
InChI Key:
XOBGIOGZLQNHMM-GQCTYLIASA-N
SMILES:
CC=C(C=O)C=C
EC Number:
243-859-9
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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