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86884-25-5 | 1,4-dimethoxy-2-methylcyclohexa-1,4-diene
CAS No: 86884-25-5 Catalog No: AG004LVU MDL No:
Product Description
Catalog Number:
AG004LVU
Chemical Name:
1,4-dimethoxy-2-methylcyclohexa-1,4-diene
CAS Number:
86884-25-5
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
1,4-dimethoxy-2-methylcyclohexa-1,4-diene
InChI:
InChI=1S/C9H14O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4H,5-6H2,1-3H3
InChI Key:
OELDQIIBJQUSIN-UHFFFAOYSA-N
SMILES:
COC1=CCC(=C(C1)C)OC
NSC Number:
149934
Properties
Complexity:
202
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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