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101536-75-8 | 6-Heptene-2,4-diol, 4-(2-propen-1-yl)-
CAS No: 101536-75-8 Catalog No: AG0004Q9 MDL No:
Product Description
Catalog Number:
AG0004Q9
Chemical Name:
6-Heptene-2,4-diol, 4-(2-propen-1-yl)-
CAS Number:
101536-75-8
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
4-prop-2-enylhept-6-ene-2,4-diol
InChI:
InChI=1S/C10H18O2/c1-4-6-10(12,7-5-2)8-9(3)11/h4-5,9,11-12H,1-2,6-8H2,3H3
InChI Key:
WENTZDHRLQWAEJ-UHFFFAOYSA-N
SMILES:
C=CCC(CC(O)C)(CC=C)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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