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139443-51-9 | 2-Butenal, 2-(hydroxymethyl)-, (2E)-
CAS No: 139443-51-9 Catalog No: AG001B1A MDL No:
Product Description
Catalog Number:
AG001B1A
Chemical Name:
2-Butenal, 2-(hydroxymethyl)-, (2E)-
CAS Number:
139443-51-9
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
IUPAC Name:
2-(hydroxymethyl)but-2-enal
InChI:
InChI=1S/C5H8O2/c1-2-5(3-6)4-7/h2-3,7H,4H2,1H3
InChI Key:
LBBCKLBUFAQQQA-UHFFFAOYSA-N
SMILES:
C/C=C(/C=O)\CO
Properties
Complexity:
84.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.3
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