Home Carboxys benzyl 4-formyl-1H-pyrrole-2-carboxylate

benzyl 4-formyl-1H-pyrrole-2-carboxylate

CAS No.:
185621-28-7
Catalog Number:
AG01APGF
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
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Product Description
Catalog Number:
AG01APGF
Chemical Name:
benzyl 4-formyl-1H-pyrrole-2-carboxylate
CAS Number:
185621-28-7
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00598558
IUPAC Name:
benzyl 4-formyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C13H11NO3/c15-8-11-6-12(14-7-11)13(16)17-9-10-4-2-1-3-5-10/h1-8,14H,9H2
InChI Key:
NDEPHKDCOCSLFM-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(c1)C(=O)OCc1ccccc1
Properties
Complexity:
274  
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:
5  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties