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68591-08-2 | Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-6-methyl-
CAS No: 68591-08-2 Catalog No: AG005P99 MDL No:MFCD21233454
Product Description
Catalog Number:
AG005P99
Chemical Name:
Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-6-methyl-
CAS Number:
68591-08-2
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD21233454
IUPAC Name:
3-tert-butyl-2-hydroxy-6-methylbenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-8-5-6-10(12(2,3)4)11(14)9(8)7-13/h5-7,14H,1-4H3
InChI Key:
YAGXJTGFNACZEO-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)ccc(c1O)C(C)(C)C
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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