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1576-86-9 | 2-Pentenal, (2Z)-
CAS No: 1576-86-9 Catalog No: AG001PJS MDL No:
Product Description
Catalog Number:
AG001PJS
Chemical Name:
2-Pentenal, (2Z)-
CAS Number:
1576-86-9
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
IUPAC Name:
(Z)-pent-2-enal
InChI:
InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3-
InChI Key:
DTCCTIQRPGSLPT-ARJAWSKDSA-N
SMILES:
CC/C=C\C=O
UNII:
726211U84P
Properties
Complexity:
55
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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