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Home > Aldehydes > 123013-13-8
123013-13-8 | Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-methoxy-
CAS No: 123013-13-8 Catalog No: AG000JY5 MDL No:MFCD17012735
Product Description
Catalog Number:
AG000JY5
Chemical Name:
Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-methoxy-
CAS Number:
123013-13-8
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD17012735
IUPAC Name:
3-tert-butyl-2-hydroxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C12H16O3/c1-12(2,3)10-6-9(15-4)5-8(7-13)11(10)14/h5-7,14H,1-4H3
InChI Key:
BSOBIHUVDDETHG-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1)C(C)(C)C)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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