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91563-80-3 | Methyl 4-diethylaminobenzoate, 98%
CAS No: 91563-80-3 Catalog No: AG003RV6 MDL No:
Product Description
Catalog Number:
AG003RV6
Chemical Name:
Methyl 4-diethylaminobenzoate, 98%
CAS Number:
91563-80-3
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
methyl 4-(diethylamino)benzoate
InChI:
InChI=1S/C12H17NO2/c1-4-13(5-2)11-8-6-10(7-9-11)12(14)15-3/h6-9H,4-5H2,1-3H3
InChI Key:
NRZLHHHHUNKJOP-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C(=O)OC)CC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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