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10537-77-6 | Benzaldehyde, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-
CAS No: 10537-77-6 Catalog No: AG007EU2 MDL No:
Product Description
Catalog Number:
AG007EU2
Chemical Name:
Benzaldehyde, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-
CAS Number:
10537-77-6
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3-tert-butyl-4-hydroxy-5-methylbenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-8-5-9(7-13)6-10(11(8)14)12(2,3)4/h5-7,14H,1-4H3
InChI Key:
IOFKLPGWURTFMD-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(c(c1)C(C)(C)C)O
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:
3.1
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