Home Carboxys ethyl 5-(hydroxymethyl)-2-methyl-1H-pyrrole-3-carboxylate

ethyl 5-(hydroxymethyl)-2-methyl-1H-pyrrole-3-carboxylate

CAS No.:
856102-45-9
Catalog Number:
AG01B7RF
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
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Product Description
Catalog Number:
AG01B7RF
Chemical Name:
ethyl 5-(hydroxymethyl)-2-methyl-1H-pyrrole-3-carboxylate
CAS Number:
856102-45-9
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD01006545
IUPAC Name:
ethyl 5-(hydroxymethyl)-2-methyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-3-13-9(12)8-4-7(5-11)10-6(8)2/h4,10-11H,3,5H2,1-2H3
InChI Key:
QRKPZBXFQUGECX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]c1C)CO
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties