Home Carboxys 1H-Pyrrole-2-carboxylic acid, 5-formyl-, phenylmethyl ester

1H-Pyrrole-2-carboxylic acid, 5-formyl-, phenylmethyl ester

CAS No.:
183172-57-8
Catalog Number:
AG0027E1
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
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Product Description
Catalog Number:
AG0027E1
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-formyl-, phenylmethyl ester
CAS Number:
183172-57-8
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00598552
IUPAC Name:
benzyl 5-formyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C13H11NO3/c15-8-11-6-7-12(14-11)13(16)17-9-10-4-2-1-3-5-10/h1-8,14H,9H2
InChI Key:
WLHDCJQRTCXNRP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc([nH]1)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:
2.2  
Properties