Home Carboxys 3-Pyridinecarboxylicacid, 4-formyl-

3-Pyridinecarboxylicacid, 4-formyl-

CAS No.:
395645-41-7
Catalog Number:
AG00789L
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
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Product Description
Catalog Number:
AG00789L
Chemical Name:
3-Pyridinecarboxylicacid, 4-formyl-
CAS Number:
395645-41-7
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
IUPAC Name:
4-formylpyridine-3-carboxylic acid
InChI:
InChI=1S/C7H5NO3/c9-4-5-1-2-8-3-6(5)7(10)11/h1-4H,(H,10,11)
InChI Key:
IZBZXXIISIPCHN-UHFFFAOYSA-N
SMILES:
O=Cc1ccncc1C(=O)O
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.121g/mol
Monoisotopic Mass:
151.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties