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1004-66-6 | Benzene, 2-methoxy-1,3-dimethyl-
CAS No: 1004-66-6 Catalog No: AG0001WQ MDL No:MFCD00008380
Product Description
Catalog Number:
AG0001WQ
Chemical Name:
Benzene, 2-methoxy-1,3-dimethyl-
CAS Number:
1004-66-6
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00008380
IUPAC Name:
2-methoxy-1,3-dimethylbenzene
InChI:
InChI=1S/C9H12O/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3
InChI Key:
GFNZJAUVJCGWLW-UHFFFAOYSA-N
SMILES:
COc1c(C)cccc1C
EC Number:
213-723-3
NSC Number:
62672
Properties
Complexity:
90.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Molecular Insights into the Local Anesthetic Receptor within Voltage-Gated Sodium Channels Using Hydroxylated Analogs of Mexiletine. | Frontiers in pharmacology 20120101 |
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