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29515-37-5 | Benzene, 2-ethoxy-1,3-dimethoxy-
CAS No: 29515-37-5 Catalog No: AG002YMI MDL No:
Product Description
Catalog Number:
AG002YMI
Chemical Name:
Benzene, 2-ethoxy-1,3-dimethoxy-
CAS Number:
29515-37-5
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
2-ethoxy-1,3-dimethoxybenzene
InChI:
InChI=1S/C10H14O3/c1-4-13-10-8(11-2)6-5-7-9(10)12-3/h5-7H,4H2,1-3H3
InChI Key:
COPJTXDDUKMXHR-UHFFFAOYSA-N
SMILES:
CCOc1c(OC)cccc1OC
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Prazosin-related compounds. Effect of transforming the piperazinylquinazoline moiety into an aminomethyltetrahydroacridine system on the affinity for alpha1-adrenoreceptors. | Journal of medicinal chemistry 20031106 |
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