Home Aldehydes 3-tert-butyl-5-hydroxybenzaldehyde

3-tert-butyl-5-hydroxybenzaldehyde

CAS No.:
532966-72-6
Catalog Number:
AG01A6XE
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG01A6XE
Chemical Name:
3-tert-butyl-5-hydroxybenzaldehyde
CAS Number:
532966-72-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD16999719
IUPAC Name:
3-tert-butyl-5-hydroxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-11(2,3)9-4-8(7-12)5-10(13)6-9/h4-7,13H,1-3H3
InChI Key:
XTJJGRVUCJCFOW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)cc(c1)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:
2.7  
Properties