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

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

CAS No.:
351416-83-6
Catalog Number:
AG00CXYW
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
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Product Description
Catalog Number:
AG00CXYW
Chemical Name:
1H-Pyrrole-3-carboxylicacid,1,4-dimethyl-(9CI)
CAS Number:
351416-83-6
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD18810352
IUPAC Name:
1,4-dimethylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C7H9NO2/c1-5-3-8(2)4-6(5)7(9)10/h3-4H,1-2H3,(H,9,10)
InChI Key:
ZBLURRDKXCKUJC-UHFFFAOYSA-N
SMILES:
Cn1cc(c(c1)C(=O)O)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties