Home Carbonyls methyl 4-(1H-pyrrole-3-carbonyl)benzoate

methyl 4-(1H-pyrrole-3-carbonyl)benzoate

CAS No.:
1375913-88-4
Catalog Number:
AG019TAQ
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
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Product Description
Catalog Number:
AG019TAQ
Chemical Name:
methyl 4-(1H-pyrrole-3-carbonyl)benzoate
CAS Number:
1375913-88-4
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD22056467
IUPAC Name:
methyl 4-(1H-pyrrole-3-carbonyl)benzoate
InChI:
InChI=1S/C13H11NO3/c1-17-13(16)10-4-2-9(3-5-10)12(15)11-6-7-14-8-11/h2-8,14H,1H3
InChI Key:
NIIZVGHWZPYCCG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)c1c[nH]cc1
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties