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20334-52-5 | 1-Buten-1-one (9CI)
CAS No: 20334-52-5 Catalog No: AG0028V1 MDL No:
Product Description
Catalog Number:
AG0028V1
Chemical Name:
1-Buten-1-one (9CI)
CAS Number:
20334-52-5
Molecular Formula:
C4H6O
Molecular Weight:
70.0898
IUPAC Name:
but-1-en-1-one
InChI:
InChI=1S/C4H6O/c1-2-3-4-5/h3H,2H2,1H3
InChI Key:
JSEMCPMTAXQTJN-UHFFFAOYSA-N
SMILES:
CCC=C=O
Properties
Complexity:
50.7
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1.5
Literature
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| Purification and characterization of a Galactomyces reessii hydratase that converts 3-methylcrotonic acid to 3-hydroxy-3-methylbutyric acid. | Journal of industrial microbiology & biotechnology 20020201 |
| Highly diastereoselective 1,4-addition of an organocuprate to methyl alpha-D-gluco-, alpha-D-manno-, or alpha-D-galactopyranosides tethering an alpha,beta-unsaturated ester. Novel asymmetric access to beta-C-substituted butanoic acids. | The Journal of organic chemistry 20010907 |
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