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10537-86-7 | 4-hydroxy-3,5-bis(isopropyl)benzaldehyde
CAS No: 10537-86-7 Catalog No: AG008Z2X MDL No:MFCD00812875
Product Description
Catalog Number:
AG008Z2X
Chemical Name:
4-hydroxy-3,5-bis(isopropyl)benzaldehyde
CAS Number:
10537-86-7
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD00812875
IUPAC Name:
4-hydroxy-3,5-di(propan-2-yl)benzaldehyde
InChI:
InChI=1S/C13H18O2/c1-8(2)11-5-10(7-14)6-12(9(3)4)13(11)15/h5-9,15H,1-4H3
InChI Key:
WVGDLTQPAQUBMO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C(C)C)c(c(c1)C(C)C)O
EC Number:
234-111-2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Propofol analogues. Synthesis, relationships between structure and affinity at GABAA receptor in rat brain, and differential electrophysiological profile at recombinant human GABAA receptors. | Journal of medicinal chemistry 19980521 |
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