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89534-51-0 | 5-Hexene-1,2,3-triol
CAS No: 89534-51-0 Catalog No: AG003Z0Y MDL No:
Product Description
Catalog Number:
AG003Z0Y
Chemical Name:
5-Hexene-1,2,3-triol
CAS Number:
89534-51-0
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
hex-5-ene-1,2,3-triol
InChI:
InChI=1S/C6H12O3/c1-2-3-5(8)6(9)4-7/h2,5-9H,1,3-4H2
InChI Key:
LOUUJHLYXOLVKW-UHFFFAOYSA-N
SMILES:
OC(C(CO)O)CC=C
Properties
Complexity:
82.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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