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85943-68-6 | 5- tert -Butyl-2-hydroxy-3-methoxy-benzaldehyde
CAS No: 85943-68-6 Catalog No: AG01EXUN MDL No:
Product Description
Catalog Number:
AG01EXUN
Chemical Name:
5- tert -Butyl-2-hydroxy-3-methoxy-benzaldehyde
CAS Number:
85943-68-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
5-tert-butyl-2-hydroxy-3-methoxybenzaldehyde
InChI:
InChI=1S/C12H16O3/c1-12(2,3)9-5-8(7-13)11(14)10(6-9)15-4/h5-7,14H,1-4H3
InChI Key:
LDMUWZJNLSNAJX-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)C=O)C(C)(C)C
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
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