Home Other Building Blocks 3-(2-formylphenoxy)propanoic acid

3-(2-formylphenoxy)propanoic acid

CAS No.:
64603-71-0
Catalog Number:
AG01A857
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
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Product Description
Catalog Number:
AG01A857
Chemical Name:
3-(2-formylphenoxy)propanoic acid
CAS Number:
64603-71-0
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD11557064
IUPAC Name:
3-(2-formylphenoxy)propanoic acid
InChI:
InChI=1S/C10H10O4/c11-7-8-3-1-2-4-9(8)14-6-5-10(12)13/h1-4,7H,5-6H2,(H,12,13)
InChI Key:
AZDHETRMCZUOPG-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCCC(=O)O
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
3-(2-Formyl-phen-oxy)propanoic acid. Acta crystallographica. Section E, Structure reports online 20101001
Properties