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188783-21-3 | 3-Hexene-1,2,6-triol
CAS No: 188783-21-3 Catalog No: AG002HB8 MDL No:
Product Description
Catalog Number:
AG002HB8
Chemical Name:
3-Hexene-1,2,6-triol
CAS Number:
188783-21-3
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
hex-3-ene-1,2,6-triol
InChI:
InChI=1S/C6H12O3/c7-4-2-1-3-6(9)5-8/h1,3,6-9H,2,4-5H2
InChI Key:
XYIATLHHXQNGDQ-UHFFFAOYSA-N
SMILES:
OCCC=CC(CO)O
Properties
Complexity:
80.4
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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-1
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