Home Other Building Blocks 4-hydroxy-3-(hydroxymethyl)benzoic acid

4-hydroxy-3-(hydroxymethyl)benzoic acid

CAS No.:
82885-62-9
Catalog Number:
AG01DWOY
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
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Product Description
Catalog Number:
AG01DWOY
Chemical Name:
4-hydroxy-3-(hydroxymethyl)benzoic acid
CAS Number:
82885-62-9
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD20641497
IUPAC Name:
4-hydroxy-3-(hydroxymethyl)benzoic acid
InChI:
InChI=1S/C8H8O4/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3,9-10H,4H2,(H,11,12)
InChI Key:
QZCIFUSRAPIQJN-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1O)C(=O)O
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties