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146512-85-8 | 1-Hexanol, 4-methyl-6-(phenylmethoxy)-, (4R)-
CAS No: 146512-85-8 Catalog No: AG001E3P MDL No:
Product Description
Catalog Number:
AG001E3P
Chemical Name:
1-Hexanol, 4-methyl-6-(phenylmethoxy)-, (4R)-
CAS Number:
146512-85-8
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
4-methyl-6-phenylmethoxyhexan-1-ol
InChI:
InChI=1S/C14H22O2/c1-13(6-5-10-15)9-11-16-12-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3
InChI Key:
NBLOVSHGEBKSQH-UHFFFAOYSA-N
SMILES:
OCCC[C@H](CCOCc1ccccc1)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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