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100011-00-5 | 2-OCTANOL, 1-(PHENYLMETHOXY)-
CAS No: 100011-00-5 Catalog No: AG0000AJ MDL No:
Product Description
Catalog Number:
AG0000AJ
Chemical Name:
2-OCTANOL, 1-(PHENYLMETHOXY)-
CAS Number:
100011-00-5
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
1-phenylmethoxyoctan-2-ol
InChI:
InChI=1S/C15H24O2/c1-2-3-4-8-11-15(16)13-17-12-14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13H2,1H3
InChI Key:
OUMYUFFEOLOBDT-UHFFFAOYSA-N
SMILES:
CCCCCCC(COCc1ccccc1)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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