Home Carboxys 1H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl- (9CI)

1H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl- (9CI)

CAS No.:
134209-74-8
Catalog Number:
AG00AHW3
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
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Product Description
Catalog Number:
AG00AHW3
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl- (9CI)
CAS Number:
134209-74-8
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD13174820
IUPAC Name:
5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-4-2-5(3-9)8-6(4)7(10)11/h2-3,8H,1H3,(H,10,11)
InChI Key:
HAECHZMQFYEKKN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c([nH]1)C(=O)O)C
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:
2  
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties