Home Other Building Blocks 2-(3-methoxybenzenesulfinyl)acetic acid

2-(3-methoxybenzenesulfinyl)acetic acid

CAS No.:
1250027-26-9
Catalog Number:
AG01C23M
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
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Product Description
Catalog Number:
AG01C23M
Chemical Name:
2-(3-methoxybenzenesulfinyl)acetic acid
CAS Number:
1250027-26-9
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD14694630
IUPAC Name:
2-(3-methoxyphenyl)sulfinylacetic acid
InChI:
InChI=1S/C9H10O4S/c1-13-7-3-2-4-8(5-7)14(12)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
OGFLJDLMLDEPHB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)S(=O)CC(=O)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties