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

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

CAS No.:
442563-59-9
Catalog Number:
AG00DY35
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
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Product Description
Catalog Number:
AG00DY35
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl- (9CI)
CAS Number:
442563-59-9
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD18810349
IUPAC Name:
5-formyl-2-methyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c1-4-6(7(10)11)2-5(3-9)8-4/h2-3,8H,1H3,(H,10,11)
InChI Key:
IJVWRAVKIZYREQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c([nH]1)C)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:
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:
0.4  
Properties