Home Carboxys methyl 3-benzoyl-1H-indole-4-carboxylate

methyl 3-benzoyl-1H-indole-4-carboxylate

CAS No.:
1448725-23-2
Catalog Number:
AG01DIPO
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
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Product Description
Catalog Number:
AG01DIPO
Chemical Name:
methyl 3-benzoyl-1H-indole-4-carboxylate
CAS Number:
1448725-23-2
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD31652290
IUPAC Name:
methyl 3-benzoyl-1H-indole-4-carboxylate
InChI:
InChI=1S/C17H13NO3/c1-21-17(20)12-8-5-9-14-15(12)13(10-18-14)16(19)11-6-3-2-4-7-11/h2-10,18H,1H3
InChI Key:
XLTZHPCALABRGK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(c[nH]2)C(=O)c1ccccc1
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties