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1666-01-9 | Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-3-methyl-
CAS No: 1666-01-9 Catalog No: AG001WUR MDL No:MFCD16743013
Product Description
Catalog Number:
AG001WUR
Chemical Name:
Benzaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-3-methyl-
CAS Number:
1666-01-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD16743013
IUPAC Name:
5-tert-butyl-2-hydroxy-3-methylbenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-8-5-10(12(2,3)4)6-9(7-13)11(8)14/h5-7,14H,1-4H3
InChI Key:
VCYNSDGWNABYBX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)C)C(C)(C)C
NSC Number:
48675
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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