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19781-76-1 | 6-HEPTENE-2,4-DIOL
CAS No: 19781-76-1 Catalog No: AG002B3O MDL No:
Product Description
Catalog Number:
AG002B3O
Chemical Name:
6-HEPTENE-2,4-DIOL
CAS Number:
19781-76-1
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
hept-6-ene-2,4-diol
InChI:
InChI=1S/C7H14O2/c1-3-4-7(9)5-6(2)8/h3,6-9H,1,4-5H2,2H3
InChI Key:
IKSZUZSICAXOHV-UHFFFAOYSA-N
SMILES:
C=CCC(CC(O)C)O
Properties
Complexity:
81
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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