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160238-45-9 | 1-Propanol, 3-[(4-methoxyphenyl)methoxy]-2-methyl-, (2S)-
CAS No: 160238-45-9 Catalog No: AG001RSD MDL No:MFCD27957342
Product Description
Catalog Number:
AG001RSD
Chemical Name:
1-Propanol, 3-[(4-methoxyphenyl)methoxy]-2-methyl-, (2S)-
CAS Number:
160238-45-9
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
MDL Number:
MFCD27957342
IUPAC Name:
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methylpropan-1-ol
InChI:
InChI=1S/C12H18O3/c1-10(7-13)8-15-9-11-3-5-12(14-2)6-4-11/h3-6,10,13H,7-9H2,1-2H3/t10-/m0/s1
InChI Key:
VXWJQPCCVVLLAN-JTQLQIEISA-N
SMILES:
OC[C@@H](COCc1ccc(cc1)OC)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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