Home Other Building Blocks 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetic acid

2-[4-(1,3-dithiolan-2-yl)phenoxy]acetic acid

CAS No.:
852218-15-6
Catalog Number:
AG019O09
Molecular Formula:
C11H12O3S2
Molecular Weight:
256.3412
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Product Description
Catalog Number:
AG019O09
Chemical Name:
2-[4-(1,3-dithiolan-2-yl)phenoxy]acetic acid
CAS Number:
852218-15-6
Molecular Formula:
C11H12O3S2
Molecular Weight:
256.3412
MDL Number:
MFCD06655307
IUPAC Name:
2-[4-(1,3-dithiolan-2-yl)phenoxy]acetic acid
InChI:
InChI=1S/C11H12O3S2/c12-10(13)7-14-9-3-1-8(2-4-9)11-15-5-6-16-11/h1-4,11H,5-7H2,(H,12,13)
InChI Key:
LQUMXSSIHJIHOE-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)C1SCCS1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.023g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.334g/mol
Monoisotopic Mass:
256.023g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties