200,000+ products from a single source!
sales@angenechem.com
127635-22-7 | 2,6-Octadiene-1,8-diol, monoacetate, (2E,6E)- (9CI)
CAS No: 127635-22-7 Catalog No: AG000X8X MDL No:
Product Description
Catalog Number:
AG000X8X
Chemical Name:
2,6-Octadiene-1,8-diol, monoacetate, (2E,6E)- (9CI)
CAS Number:
127635-22-7
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
acetic acid;octa-2,6-diene-1,8-diol
InChI:
InChI=1S/C8H14O2.C2H4O2/c9-7-5-3-1-2-4-6-8-10;1-2(3)4/h3-6,9-10H,1-2,7-8H2;1H3,(H,3,4)
InChI Key:
GATIEVKHMBBUKY-UHFFFAOYSA-N
SMILES:
CC(=O)OC/C=C/CC/C=C/CO
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.