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113845-62-8 | Cyclodecanol, 1-(phenylmethyl)-
CAS No: 113845-62-8 Catalog No: AG0009VS MDL No:
Product Description
Catalog Number:
AG0009VS
Chemical Name:
Cyclodecanol, 1-(phenylmethyl)-
CAS Number:
113845-62-8
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
IUPAC Name:
1-benzylcyclodecan-1-ol
InChI:
InChI=1S/C17H26O/c18-17(15-16-11-7-6-8-12-16)13-9-4-2-1-3-5-10-14-17/h6-8,11-12,18H,1-5,9-10,13-15H2
InChI Key:
GMQQSXDWTIGABE-UHFFFAOYSA-N
SMILES:
OC1(CCCCCCCCC1)Cc1ccccc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.198g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.394g/mol
Monoisotopic Mass:
246.198g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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