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24623-65-2 | Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-
CAS No: 24623-65-2 Catalog No: AG002OTJ MDL No:MFCD00778877
Product Description
Catalog Number:
AG002OTJ
Chemical Name:
Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-
CAS Number:
24623-65-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00778877
IUPAC Name:
3-tert-butyl-2-hydroxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-11(2,3)9-6-4-5-8(7-12)10(9)13/h4-7,13H,1-3H3
InChI Key:
ROILLNJICXGZQQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1O)C(C)(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 2-tert-Butyl-6-(cyclo-hexyl-imino-meth-yl)-4-meth-oxy-phenol. | Acta crystallographica. Section E, Structure reports online 20110701 |
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