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81678-40-2 | 1-Pentanol, 2-methyl-5-(phenylmethoxy)-, (2S)-
CAS No: 81678-40-2 Catalog No: AG0051C8 MDL No:
Product Description
Catalog Number:
AG0051C8
Chemical Name:
1-Pentanol, 2-methyl-5-(phenylmethoxy)-, (2S)-
CAS Number:
81678-40-2
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
(2S)-2-methyl-5-phenylmethoxypentan-1-ol
InChI:
InChI=1S/C13H20O2/c1-12(10-14)6-5-9-15-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3/t12-/m0/s1
InChI Key:
CADQEVDSWXSTQH-LBPRGKRZSA-N
SMILES:
OC[C@H](CCCOCc1ccccc1)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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