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123253-71-4 | 1,3-Cyclohexadiene, 5,6-dimethoxy-1-methyl-, (5S,6R)-
CAS No: 123253-71-4 Catalog No: AG000K8P MDL No:
Product Description
Catalog Number:
AG000K8P
Chemical Name:
1,3-Cyclohexadiene, 5,6-dimethoxy-1-methyl-, (5S,6R)-
CAS Number:
123253-71-4
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
5,6-dimethoxy-1-methylcyclohexa-1,3-diene
InChI:
InChI=1S/C9H14O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6,8-9H,1-3H3
InChI Key:
TWOZVOMGDJYORC-UHFFFAOYSA-N
SMILES:
CO[C@H]1[C@@H](OC)C=CC=C1C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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