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139301-03-4 | 2-Decanol, 1-phenoxy-
CAS No: 139301-03-4 Catalog No: AG001APD MDL No:
Product Description
Catalog Number:
AG001APD
Chemical Name:
2-Decanol, 1-phenoxy-
CAS Number:
139301-03-4
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
1-phenoxydecan-2-ol
InChI:
InChI=1S/C16H26O2/c1-2-3-4-5-6-8-11-15(17)14-18-16-12-9-7-10-13-16/h7,9-10,12-13,15,17H,2-6,8,11,14H2,1H3
InChI Key:
AVOXTWSHROGTDC-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(COc1ccccc1)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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