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812642-68-5 | 2-(4-FORMYL-2,6-DIMETHOXYPHENOXY)PROPANOIC ACID
CAS No: 812642-68-5 Catalog No: AG004YQZ MDL No:MFCD05625237
Product Description
Catalog Number:
AG004YQZ
Chemical Name:
2-(4-FORMYL-2,6-DIMETHOXYPHENOXY)PROPANOIC ACID
CAS Number:
812642-68-5
Molecular Formula:
C12H14O6
Molecular Weight:
254.2360
MDL Number:
MFCD05625237
IUPAC Name:
2-(4-formyl-2,6-dimethoxyphenoxy)propanoic acid
InChI:
InChI=1S/C12H14O6/c1-7(12(14)15)18-11-9(16-2)4-8(6-13)5-10(11)17-3/h4-7H,1-3H3,(H,14,15)
InChI Key:
ZZTPVGFRGWPXEF-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1OC(C(=O)O)C)OC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.238g/mol
Monoisotopic Mass:
254.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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