Synonyms
J-640339; DTXSID30166305; XUDOZULIAWNMIU-UHFFFAOYSA-N; MCULE-6043142578; SCHEMBL60128; AC1L25M8; FT-0620448; UNII-5HL6OL352W; MFCD00046558; SC-93956;
IUPAC Name
hex-5-enoic acid;
Molecular Weight
114.144g/mol
Molecular Formula
C6H10O2;
Canonical SMILES
C=CCCCC(=O)O;
InChI
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8);
InChI Key
XUDOZULIAWNMIU-UHFFFAOYSA-N;
Melting Point
-37.0°C;
Complexity
86.5
Covalently-Bonded Unit Count
1
Exact Mass
114.068g/mol
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
8
Monoisotopic Mass
114.068g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
37.3A^2
UNII
5HL6OL352W
