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2883-45-6 | Hepta-1,6-dien-4-ol
CAS No: 2883-45-6 Catalog No: AG002WOY MDL No:MFCD00008663
Product Description
Catalog Number:
AG002WOY
Chemical Name:
Hepta-1,6-dien-4-ol
CAS Number:
2883-45-6
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00008663
IUPAC Name:
hepta-1,6-dien-4-ol
InChI:
InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2
InChI Key:
UTGFOWQYZKTZTN-UHFFFAOYSA-N
SMILES:
C=CCC(CC=C)O
EC Number:
220-742-0
NSC Number:
97509
Properties
Complexity:
66.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis enables identification of the cellular target of leucascandrolide A and neopeltolide. | Nature chemical biology 20080701 |
| Synthesis of purine- and pyrimidine-substituted heptadienes. The stereochemistry of cyclization and cyclopolymerization products. | The Journal of organic chemistry 20030221 |
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