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122948-45-2 | Benzene, 1-(3,3-dimethoxybutyl)-4-methoxy-
CAS No: 122948-45-2 Catalog No: AG000JT6 MDL No:
Product Description
Catalog Number:
AG000JT6
Chemical Name:
Benzene, 1-(3,3-dimethoxybutyl)-4-methoxy-
CAS Number:
122948-45-2
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
1-(3,3-dimethoxybutyl)-4-methoxybenzene
InChI:
InChI=1S/C13H20O3/c1-13(15-3,16-4)10-9-11-5-7-12(14-2)8-6-11/h5-8H,9-10H2,1-4H3
InChI Key:
ZXESOWFJETWKAY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCC(OC)(OC)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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