Home Carboxys 1H-Pyrrole-3-carboxylicacid,4-methyl-(9CI)

1H-Pyrrole-3-carboxylicacid,4-methyl-(9CI)

CAS No.:
64276-66-0
Catalog Number:
AG00EEHM
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
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Product Description
Catalog Number:
AG00EEHM
Chemical Name:
1H-Pyrrole-3-carboxylicacid,4-methyl-(9CI)
CAS Number:
64276-66-0
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD00030418
IUPAC Name:
4-methyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C6H7NO2/c1-4-2-7-3-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChI Key:
FXPOCCDGHHTZAO-UHFFFAOYSA-N
SMILES:
Cc1c[nH]cc1C(=O)O
NSC Number:
120446
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties