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88733-68-0 | Benzene, [(1-propylbutoxy)methyl]-
CAS No: 88733-68-0 Catalog No: AG0044ZH MDL No:
Product Description
Catalog Number:
AG0044ZH
Chemical Name:
Benzene, [(1-propylbutoxy)methyl]-
CAS Number:
88733-68-0
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
heptan-4-yloxymethylbenzene
InChI:
InChI=1S/C14H22O/c1-3-8-14(9-4-2)15-12-13-10-6-5-7-11-13/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3
InChI Key:
FTARVOVTOSPCBE-UHFFFAOYSA-N
SMILES:
CCCC(CCC)OCc1ccccc1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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