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57699-45-3 | 4-(tert-Butoxy)benzaldehyde
CAS No: 57699-45-3 Catalog No: AG003KAD MDL No:MFCD00040800
Product Description
Catalog Number:
AG003KAD
Chemical Name:
4-(tert-Butoxy)benzaldehyde
CAS Number:
57699-45-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00040800
IUPAC Name:
4-[(2-methylpropan-2-yl)oxy]benzaldehyde
InChI:
InChI=1S/C11H14O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChI Key:
VWSFZYXXQDKXKQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(C)(C)C
EC Number:
260-909-5
Properties
Complexity:
161
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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