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40843-99-0 | ((Cyclopentyloxy)methyl)benzene
CAS No: 40843-99-0 Catalog No: AG003BZR MDL No:MFCD16295098
Product Description
Catalog Number:
AG003BZR
Chemical Name:
((Cyclopentyloxy)methyl)benzene
CAS Number:
40843-99-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD16295098
IUPAC Name:
cyclopentyloxymethylbenzene
InChI:
InChI=1S/C12H16O/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2
InChI Key:
XQCOUULIMKYHIU-UHFFFAOYSA-N
SMILES:
C1CCC(C1)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:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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