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88097-06-7 | Benzene, 1,3-dimethoxy-2-[(3-methyl-2-butenyl)oxy]-
CAS No: 88097-06-7 Catalog No: AG004G8L MDL No:
Product Description
Catalog Number:
AG004G8L
Chemical Name:
Benzene, 1,3-dimethoxy-2-[(3-methyl-2-butenyl)oxy]-
CAS Number:
88097-06-7
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
1,3-dimethoxy-2-(3-methylbut-2-enoxy)benzene
InChI:
InChI=1S/C13H18O3/c1-10(2)8-9-16-13-11(14-3)6-5-7-12(13)15-4/h5-8H,9H2,1-4H3
InChI Key:
JFXRELDLPUWGNM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OCC=C(C)C)OC
Properties
Complexity:
209
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:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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