Home Carboxys 3-[carboxy(hydroxy)methyl]benzoic acid

3-[carboxy(hydroxy)methyl]benzoic acid

CAS No.:
54440-90-3
Catalog Number:
AG01A0HB
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
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Product Description
Catalog Number:
AG01A0HB
Chemical Name:
3-[carboxy(hydroxy)methyl]benzoic acid
CAS Number:
54440-90-3
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD20643359
IUPAC Name:
3-[carboxy(hydroxy)methyl]benzoic acid
InChI:
InChI=1S/C9H8O5/c10-7(9(13)14)5-2-1-3-6(4-5)8(11)12/h1-4,7,10H,(H,11,12)(H,13,14)
InChI Key:
GWFJBWGZYJEJRS-UHFFFAOYSA-N
SMILES:
OC(c1cccc(c1)C(=O)O)C(=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:
3  
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties