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20012-43-5 | Benzene, [(1-methylheptyl)oxy]-
CAS No: 20012-43-5 Catalog No: AG002CK8 MDL No:
Product Description
Catalog Number:
AG002CK8
Chemical Name:
Benzene, [(1-methylheptyl)oxy]-
CAS Number:
20012-43-5
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
octan-2-yloxybenzene
InChI:
InChI=1S/C14H22O/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
InChI Key:
NFNYRLJUUZSODO-UHFFFAOYSA-N
SMILES:
CCCCCCC(Oc1ccccc1)C
Properties
Complexity:
138
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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