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26014-71-1 | Benzeneethanol, α-ethyl-3,4-dimethoxy-
CAS No: 26014-71-1 Catalog No: AG002RDN MDL No:
Product Description
Catalog Number:
AG002RDN
Chemical Name:
Benzeneethanol, α-ethyl-3,4-dimethoxy-
CAS Number:
26014-71-1
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
1-(3,4-dimethoxyphenyl)butan-2-ol
InChI:
InChI=1S/C12H18O3/c1-4-10(13)7-9-5-6-11(14-2)12(8-9)15-3/h5-6,8,10,13H,4,7H2,1-3H3
InChI Key:
MFEONCBASHYJNT-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccc(c(c1)OC)OC)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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