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Home > Aldehydes > 117569-57-0
117569-57-0 | Benzaldehyde, 4-(3-hydroxy-3-methyl-1-butynyl)-
CAS No: 117569-57-0 Catalog No: AG0081HG MDL No:MFCD07187866
Product Description
Catalog Number:
AG0081HG
Chemical Name:
Benzaldehyde, 4-(3-hydroxy-3-methyl-1-butynyl)-
CAS Number:
117569-57-0
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD07187866
IUPAC Name:
4-(3-hydroxy-3-methylbut-1-ynyl)benzaldehyde
InChI:
InChI=1S/C12H12O2/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,9,14H,1-2H3
InChI Key:
SLKHCIZTANAAEH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C#CC(O)(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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