Home Other Building Blocks methyl 3-(3-oxobutanamido)benzoate

methyl 3-(3-oxobutanamido)benzoate

CAS No.:
1016715-52-8
Catalog Number:
AG01A7SG
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
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Product Description
Catalog Number:
AG01A7SG
Chemical Name:
methyl 3-(3-oxobutanamido)benzoate
CAS Number:
1016715-52-8
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD09804436
IUPAC Name:
methyl 3-(3-oxobutanoylamino)benzoate
InChI:
InChI=1S/C12H13NO4/c1-8(14)6-11(15)13-10-5-3-4-9(7-10)12(16)17-2/h3-5,7H,6H2,1-2H3,(H,13,15)
InChI Key:
FTPPKVDTLLENPS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)NC(=O)CC(=O)C
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties