Home Carboxys methyl 1-benzyl-3-hydroxy-1H-pyrrole-2-carboxylate

methyl 1-benzyl-3-hydroxy-1H-pyrrole-2-carboxylate

CAS No.:
1782533-38-3
Catalog Number:
AG01BDT2
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
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Product Description
Catalog Number:
AG01BDT2
Chemical Name:
methyl 1-benzyl-3-hydroxy-1H-pyrrole-2-carboxylate
CAS Number:
1782533-38-3
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD28246220
IUPAC Name:
methyl 1-benzyl-3-hydroxypyrrole-2-carboxylate
InChI:
InChI=1S/C13H13NO3/c1-17-13(16)12-11(15)7-8-14(12)9-10-5-3-2-4-6-10/h2-8,15H,9H2,1H3
InChI Key:
ULIHNFNWZYJDMA-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)ccn1Cc1ccccc1
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties