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100533-08-2 | Benzenemethanol, α,α-diethyl-2,3-dimethoxy-
CAS No: 100533-08-2 Catalog No: AG00029X MDL No:
Product Description
Catalog Number:
AG00029X
Chemical Name:
Benzenemethanol, α,α-diethyl-2,3-dimethoxy-
CAS Number:
100533-08-2
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
3-(2,3-dimethoxyphenyl)pentan-3-ol
InChI:
InChI=1S/C13H20O3/c1-5-13(14,6-2)10-8-7-9-11(15-3)12(10)16-4/h7-9,14H,5-6H2,1-4H3
InChI Key:
DGPGAAZOWXIPKG-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1OC)OC)(CC)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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