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81036-81-9 | 4-(2-hydroxypropan-2-yl)benzaldehyde
CAS No: 81036-81-9 Catalog No: AG01BB0C MDL No:MFCD24674074
Product Description
Catalog Number:
AG01BB0C
Chemical Name:
4-(2-hydroxypropan-2-yl)benzaldehyde
CAS Number:
81036-81-9
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD24674074
IUPAC Name:
4-(2-hydroxypropan-2-yl)benzaldehyde
InChI:
InChI=1S/C10H12O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-7,12H,1-2H3
InChI Key:
RCUMJJBGXUQSOF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(O)(C)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Formation mechanism of p-methylacetophenone from citral via a tert-alkoxy radical intermediate. | Journal of agricultural and food chemistry 20040908 |
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