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951888-28-1 | Ethyl 3-(N,N-dimethylamino)benzoylformate
CAS No: 951888-28-1 Catalog No: AG01FBR3 MDL No:
Product Description
Catalog Number:
AG01FBR3
Chemical Name:
Ethyl 3-(N,N-dimethylamino)benzoylformate
CAS Number:
951888-28-1
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
ethyl 2-[3-(dimethylamino)phenyl]-2-oxoacetate
InChI:
InChI=1S/C12H15NO3/c1-4-16-12(15)11(14)9-6-5-7-10(8-9)13(2)3/h5-8H,4H2,1-3H3
InChI Key:
SFADOPCZQPXDKB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cccc(c1)N(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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