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21239-29-2 | ETHYL 3,5-DIMETHYLBENZOATE
CAS No: 21239-29-2 Catalog No: AG003Q6R MDL No:MFCD00015440
Product Description
Catalog Number:
AG003Q6R
Chemical Name:
ETHYL 3,5-DIMETHYLBENZOATE
CAS Number:
21239-29-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00015440
IUPAC Name:
ethyl 3,5-dimethylbenzoate
InChI:
InChI=1S/C11H14O2/c1-4-13-11(12)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
InChI Key:
IHAAVLXHNOZMBC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)cc(c1)C
EC Number:
244-286-7
Properties
Complexity:
167
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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