200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 86632-40-8
86632-40-8 | 3,5-Heptanediol
CAS No: 86632-40-8 Catalog No: AG004OKI MDL No:
Product Description
Catalog Number:
AG004OKI
Chemical Name:
3,5-Heptanediol
CAS Number:
86632-40-8
Molecular Formula:
C7H16O2
Molecular Weight:
132.2007
IUPAC Name:
heptane-3,5-diol
InChI:
InChI=1S/C7H16O2/c1-3-6(8)5-7(9)4-2/h6-9H,3-5H2,1-2H3
InChI Key:
BQWORYKVVNTRAW-UHFFFAOYSA-N
SMILES:
CCC(CC(CC)O)O
Properties
Complexity:
55.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.115g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.203g/mol
Monoisotopic Mass:
132.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| New diarylheptanoids and diarylheptanoid glucosides from the rhizomes of Tacca chantrieri and their cytotoxic activity. | Journal of natural products 20020301 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.