Home Carboxys Methyl 4-acetyl-1H-pyrrole-2-carboxylate

Methyl 4-acetyl-1H-pyrrole-2-carboxylate

CAS No.:
40611-82-3
Catalog Number:
AG0076GN
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG0076GN
Chemical Name:
Methyl 4-acetyl-1H-pyrrole-2-carboxylate
CAS Number:
40611-82-3
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD02571735
IUPAC Name:
methyl 4-acetyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-5(10)6-3-7(9-4-6)8(11)12-2/h3-4,9H,1-2H3
InChI Key:
PHZUPQKYQRXDBE-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]cc(c1)C(=O)C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties