Home Other Building Blocks 2-oxohex-5-enoic acid

2-oxohex-5-enoic acid

CAS No.:
80003-58-3
Catalog Number:
AG01B8YF
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
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Product Description
Catalog Number:
AG01B8YF
Chemical Name:
2-oxohex-5-enoic acid
CAS Number:
80003-58-3
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD19228661
IUPAC Name:
2-oxohex-5-enoic acid
InChI:
InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2H,1,3-4H2,(H,8,9)
InChI Key:
SRSUTBIWADPHRS-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)CCC=C
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Bioinformatic mapping of AlkB homology domains in viruses. BMC genomics 20050101
Properties