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15798-64-8 | 2-Butenal, (2Z)- (9CI)
CAS No: 15798-64-8 Catalog No: AG001PVF MDL No:
Product Description
Catalog Number:
AG001PVF
Chemical Name:
2-Butenal, (2Z)- (9CI)
CAS Number:
15798-64-8
Molecular Formula:
C4H6O
Molecular Weight:
70.0898
IUPAC Name:
(Z)-but-2-enal
InChI:
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-
InChI Key:
MLUCVPSAIODCQM-IHWYPQMZSA-N
SMILES:
C/C=C\C=O
UNII:
RB9WCA91QT
NSC Number:
56354
Properties
Complexity:
45.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
70.042g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
70.091g/mol
Monoisotopic Mass:
70.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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