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113727-23-4 | Benzene, 1,3,4-trimethoxy-2-methyl-5-(1-propen-1-yl)-
CAS No: 113727-23-4 Catalog No: AG0009G4 MDL No:
Product Description
Catalog Number:
AG0009G4
Chemical Name:
Benzene, 1,3,4-trimethoxy-2-methyl-5-(1-propen-1-yl)-
CAS Number:
113727-23-4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
1,3,4-trimethoxy-2-methyl-5-prop-1-enylbenzene
InChI:
InChI=1S/C13H18O3/c1-6-7-10-8-11(14-3)9(2)12(15-4)13(10)16-5/h6-8H,1-5H3
InChI Key:
AWLQEGITNDLLKK-UHFFFAOYSA-N
SMILES:
CC=Cc1cc(OC)c(c(c1OC)OC)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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