Home Other Building Blocks 4-Cyano-2-hydroxybenzoic acid

4-Cyano-2-hydroxybenzoic acid

CAS No.:
4691-71-8
Catalog Number:
AG0039QR
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
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Product Description
Catalog Number:
AG0039QR
Chemical Name:
4-Cyano-2-hydroxybenzoic acid
CAS Number:
4691-71-8
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD16999168
IUPAC Name:
4-cyano-2-hydroxybenzoic acid
InChI:
InChI=1S/C8H5NO3/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,10H,(H,11,12)
InChI Key:
RESKSOIIHUXLOJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)O)C(=O)O
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties