Home Other Building Blocks methyl 3-formyl-2,4,6-trimethylbenzoate

methyl 3-formyl-2,4,6-trimethylbenzoate

CAS No.:
135779-03-2
Catalog Number:
AG01EMCA
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG01EMCA
Chemical Name:
methyl 3-formyl-2,4,6-trimethylbenzoate
CAS Number:
135779-03-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD00505636
IUPAC Name:
methyl 3-formyl-2,4,6-trimethylbenzoate
InChI:
InChI=1S/C12H14O3/c1-7-5-8(2)11(12(14)15-4)9(3)10(7)6-13/h5-6H,1-4H3
InChI Key:
NPZKTVMOKQAXLY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(c(c1C)C=O)C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties