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1349716-90-0 | Methyl 5-ethyl-3-methylbenzoate
CAS No: 1349716-90-0 Catalog No: AG01FEVJ MDL No:MFCD18917137
Product Description
Catalog Number:
AG01FEVJ
Chemical Name:
Methyl 5-ethyl-3-methylbenzoate
CAS Number:
1349716-90-0
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD18917137
IUPAC Name:
methyl 3-ethyl-5-methylbenzoate
InChI:
InChI=1S/C11H14O2/c1-4-9-5-8(2)6-10(7-9)11(12)13-3/h5-7H,4H2,1-3H3
InChI Key:
LBAOPAXEHYEKOS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CC)cc(c1)C
Properties
Complexity:
177
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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