Home Other Building Blocks Butanoic acid, 4-(4-formyl-3,5-dimethoxyphenoxy)-

Butanoic acid, 4-(4-formyl-3,5-dimethoxyphenoxy)-

CAS No.:
197304-21-5
Catalog Number:
AG002AQT
Molecular Formula:
C13H16O6
Molecular Weight:
268.2625
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Product Description
Catalog Number:
AG002AQT
Chemical Name:
Butanoic acid, 4-(4-formyl-3,5-dimethoxyphenoxy)-
CAS Number:
197304-21-5
Molecular Formula:
C13H16O6
Molecular Weight:
268.2625
MDL Number:
MFCD01317805
IUPAC Name:
4-(4-formyl-3,5-dimethoxyphenoxy)butanoic acid
InChI:
InChI=1S/C13H16O6/c1-17-11-6-9(19-5-3-4-13(15)16)7-12(18-2)10(11)8-14/h6-8H,3-5H2,1-2H3,(H,15,16)
InChI Key:
SEJSVFHBVLKHLB-UHFFFAOYSA-N
SMILES:
COc1cc(OCCCC(=O)O)cc(c1C=O)OC
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.265g/mol
Monoisotopic Mass:
268.095g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Pentaerythrityltetramine scaffolds for solid-phase combinatorial chemistry. The Journal of organic chemistry 20040319
Properties