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138236-07-4 | 1,6-Heptadiene, 1,7-dimethoxy-
CAS No: 138236-07-4 Catalog No: AG0018CP MDL No:
Product Description
Catalog Number:
AG0018CP
Chemical Name:
1,6-Heptadiene, 1,7-dimethoxy-
CAS Number:
138236-07-4
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
1,7-dimethoxyhepta-1,6-diene
InChI:
InChI=1S/C9H16O2/c1-10-8-6-4-3-5-7-9-11-2/h6-9H,3-5H2,1-2H3
InChI Key:
HWRBCGJMRAQAIP-UHFFFAOYSA-N
SMILES:
COC=CCCCC=COC
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
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