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893723-55-2 | 5-FORMYLNICOTINIC ACID
CAS No: 893723-55-2 Catalog No: AG003X48 MDL No:MFCD06254754
Product Description
Catalog Number:
AG003X48
Chemical Name:
5-FORMYLNICOTINIC ACID
CAS Number:
893723-55-2
Molecular Formula:
C7H5NO3
Molecular Weight:
151.1195
MDL Number:
MFCD06254754
IUPAC Name:
5-formylpyridine-3-carboxylic acid
InChI:
InChI=1S/C7H5NO3/c9-4-5-1-6(7(10)11)3-8-2-5/h1-4H,(H,10,11)
InChI Key:
AXIRSRZETDXDQO-UHFFFAOYSA-N
SMILES:
O=Cc1cncc(c1)C(=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
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