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

methyl 2,3,6-trimethylbenzoate

CAS No.:
79312-88-2
Catalog Number:
AG01EIOS
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG01EIOS
Chemical Name:
methyl 2,3,6-trimethylbenzoate
CAS Number:
79312-88-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD31615957
IUPAC Name:
methyl 2,3,6-trimethylbenzoate
InChI:
InChI=1S/C11H14O2/c1-7-5-6-8(2)10(9(7)3)11(12)13-4/h5-6H,1-4H3
InChI Key:
FXODXUSRCBKOQG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)ccc(c1C)C
Properties
Complexity:
189  
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:
2.9  
Properties