Home Carboxys 1H-Pyrrole-2-carboxylic acid, 5-formyl-1-methyl- (9CI)

1H-Pyrrole-2-carboxylic acid, 5-formyl-1-methyl- (9CI)

CAS No.:
224295-73-2
Catalog Number:
AG00BTYL
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
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Product Description
Catalog Number:
AG00BTYL
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-formyl-1-methyl- (9CI)
CAS Number:
224295-73-2
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD12402319
IUPAC Name:
5-formyl-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-8-5(4-9)2-3-6(8)7(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
IRZBYIDEBJVXLK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(n1C)C(=O)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties