Home Carbonyls 2-Hydroxy-5-(methoxycarbonyl)benzoic acid

2-Hydroxy-5-(methoxycarbonyl)benzoic acid

CAS No.:
79128-78-2
Catalog Number:
AG0053GO
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
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Product Description
Catalog Number:
AG0053GO
Chemical Name:
2-Hydroxy-5-(methoxycarbonyl)benzoic acid
CAS Number:
79128-78-2
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD16987712
IUPAC Name:
2-hydroxy-5-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H8O5/c1-14-9(13)5-2-3-7(10)6(4-5)8(11)12/h2-4,10H,1H3,(H,11,12)
InChI Key:
LIQLYTSJSBMCAH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(=O)O)O
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties