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125198-30-3 | Benzene, 1-ethyl-2,4,5-trimethoxy-
CAS No: 125198-30-3 Catalog No: AG000NC9 MDL No:
Product Description
Catalog Number:
AG000NC9
Chemical Name:
Benzene, 1-ethyl-2,4,5-trimethoxy-
CAS Number:
125198-30-3
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
1-ethyl-2,4,5-trimethoxybenzene
InChI:
InChI=1S/C11H16O3/c1-5-8-6-10(13-3)11(14-4)7-9(8)12-2/h6-7H,5H2,1-4H3
InChI Key:
LGVIMNOBHXNERU-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1CC)OC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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