Home Other Building Blocks 4-cyano-2-formylbenzoic acid

4-cyano-2-formylbenzoic acid

CAS No.:
1260658-70-5
Catalog Number:
AG01CABY
Molecular Formula:
C9H5NO3
Molecular Weight:
175.1409
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Product Description
Catalog Number:
AG01CABY
Chemical Name:
4-cyano-2-formylbenzoic acid
CAS Number:
1260658-70-5
Molecular Formula:
C9H5NO3
Molecular Weight:
175.1409
MDL Number:
MFCD11036373
IUPAC Name:
4-cyano-2-formylbenzoic acid
InChI:
InChI=1S/C9H5NO3/c10-4-6-1-2-8(9(12)13)7(3-6)5-11/h1-3,5H,(H,12,13)
InChI Key:
AUHZESRDMADXNX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#N)ccc1C(=O)O
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.027g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.143g/mol
Monoisotopic Mass:
175.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties