1H-Pyrrole-2-carboxylic acid, 3-formyl-, ethyl ester


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 3-formyl-, ethyl ester
CAS Number: 36131-43-8
Product Number: AG00CKNH(AGN-PC-0NJGEN)
Synonyms:
MDL No:
Molecular Formula: C8H9NO3
Molecular Weight: 167.1620

Identification/Properties


Computed Properties
Molecular Weight:
167.164g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
167.058g/mol
Monoisotopic Mass:
167.058g/mol
Topological Polar Surface Area:
59.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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