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1349717-62-9 | Ethyl 5-ethyl-3-methylbenzoate
CAS No: 1349717-62-9 Catalog No: AG01FF1B MDL No:MFCD18917138
Product Description
Catalog Number:
AG01FF1B
Chemical Name:
Ethyl 5-ethyl-3-methylbenzoate
CAS Number:
1349717-62-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD18917138
IUPAC Name:
ethyl 3-ethyl-5-methylbenzoate
InChI:
InChI=1S/C12H16O2/c1-4-10-6-9(3)7-11(8-10)12(13)14-5-2/h6-8H,4-5H2,1-3H3
InChI Key:
XKVMDQRYNXEZEC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)cc(c1)CC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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