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136538-20-0 | 2,5-Cyclohexadien-1-ol, 1-butyl-4,4-dimethoxy-
CAS No: 136538-20-0 Catalog No: AG00121R MDL No:
Product Description
Catalog Number:
AG00121R
Chemical Name:
2,5-Cyclohexadien-1-ol, 1-butyl-4,4-dimethoxy-
CAS Number:
136538-20-0
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
1-butyl-4,4-dimethoxycyclohexa-2,5-dien-1-ol
InChI:
InChI=1S/C12H20O3/c1-4-5-6-11(13)7-9-12(14-2,15-3)10-8-11/h7-10,13H,4-6H2,1-3H3
InChI Key:
ZSAJDYQELAFDDF-UHFFFAOYSA-N
SMILES:
CCCCC1(O)C=CC(C=C1)(OC)OC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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