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288379-41-9 | Methyl 3,5-diethylbenzoate
CAS No: 288379-41-9 Catalog No: AG01FFH8 MDL No:MFCD18917139
Product Description
Catalog Number:
AG01FFH8
Chemical Name:
Methyl 3,5-diethylbenzoate
CAS Number:
288379-41-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD18917139
IUPAC Name:
methyl 3,5-diethylbenzoate
InChI:
InChI=1S/C12H16O2/c1-4-9-6-10(5-2)8-11(7-9)12(13)14-3/h6-8H,4-5H2,1-3H3
InChI Key:
NWLUWVLMWWQYSR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CC)cc(c1)CC
Properties
Complexity:
177
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:
3.4
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