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Home > Aldehydes > 142706-51-2
142706-51-2 | Benzaldehyde, 5-(3-hydroxy-3-methyl-1-butynyl)-2-methoxy-
CAS No: 142706-51-2 Catalog No: AG007ZBG MDL No:
Product Description
Catalog Number:
AG007ZBG
Chemical Name:
Benzaldehyde, 5-(3-hydroxy-3-methyl-1-butynyl)-2-methoxy-
CAS Number:
142706-51-2
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
5-(3-hydroxy-3-methylbut-1-ynyl)-2-methoxybenzaldehyde
InChI:
InChI=1S/C13H14O3/c1-13(2,15)7-6-10-4-5-12(16-3)11(8-10)9-14/h4-5,8-9,15H,1-3H3
InChI Key:
QESXRKBNESBUAY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#CC(O)(C)C)ccc1OC
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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