Home Other Building Blocks methyl 4-methanesulfinylbenzoate

methyl 4-methanesulfinylbenzoate

CAS No.:
51885-86-0
Catalog Number:
AG01AD07
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
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Product Description
Catalog Number:
AG01AD07
Chemical Name:
methyl 4-methanesulfinylbenzoate
CAS Number:
51885-86-0
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD20484030
IUPAC Name:
methyl 4-methylsulfinylbenzoate
InChI:
InChI=1S/C9H10O3S/c1-12-9(10)7-3-5-8(6-4-7)13(2)11/h3-6H,1-2H3
InChI Key:
DZWCSSHXJQPVSW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)S(=O)C
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties