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59453-56-4 | 4-Methoxy-2,3,5-trimethylbenzaldehyde
CAS No: 59453-56-4 Catalog No: AG01EA68 MDL No:
Product Description
Catalog Number:
AG01EA68
Chemical Name:
4-Methoxy-2,3,5-trimethylbenzaldehyde
CAS Number:
59453-56-4
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
4-methoxy-2,3,5-trimethylbenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-7-5-10(6-12)8(2)9(3)11(7)13-4/h5-6H,1-4H3
InChI Key:
RMFKBXSYAGJVQR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(c(c1C)C)OC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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