Home Other Building Blocks 4-METHYLCATECHOL-O,O-DIACETIC ACID

4-METHYLCATECHOL-O,O-DIACETIC ACID

CAS No.:
5458-76-4
Catalog Number:
AG00D81L
Molecular Formula:
C11H12O6
Molecular Weight:
240.2094
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Product Description
Catalog Number:
AG00D81L
Chemical Name:
4-METHYLCATECHOL-O,O-DIACETIC ACID
CAS Number:
5458-76-4
Molecular Formula:
C11H12O6
Molecular Weight:
240.2094
MDL Number:
MFCD00021756
IUPAC Name:
2-[2-(carboxymethoxy)-4-methylphenoxy]acetic acid
InChI:
InChI=1S/C11H12O6/c1-7-2-3-8(16-5-10(12)13)9(4-7)17-6-11(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)
InChI Key:
XNWHXCLJBFNQDQ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cc(C)ccc1OCC(=O)O
EC Number:
226-723-3
NSC Number:
23710
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.211g/mol
Monoisotopic Mass:
240.063g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties