Home Other Building Blocks 3,5-bis(hydroxymethyl)benzoic acid

3,5-bis(hydroxymethyl)benzoic acid

CAS No.:
123065-60-1
Catalog Number:
AG01BAWA
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
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Product Description
Catalog Number:
AG01BAWA
Chemical Name:
3,5-bis(hydroxymethyl)benzoic acid
CAS Number:
123065-60-1
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD20639233
IUPAC Name:
3,5-bis(hydroxymethyl)benzoic acid
InChI:
InChI=1S/C9H10O4/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3,10-11H,4-5H2,(H,12,13)
InChI Key:
DOHMTKLMXUAOPD-UHFFFAOYSA-N
SMILES:
OCc1cc(CO)cc(c1)C(=O)O
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties