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856868-94-5

856868-94-5 | 1,2-Thiazetidine, 2-(4-methoxybenzoyl)-, 1,1-dioxide

CAS No: 856868-94-5 Catalog No: AG004T4Y MDL No:

Product Description

Catalog Number:
AG004T4Y
Chemical Name:
1,2-Thiazetidine, 2-(4-methoxybenzoyl)-, 1,1-dioxide
CAS Number:
856868-94-5
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
IUPAC Name:
(1,1-dioxothiazetidin-2-yl)-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C10H11NO4S/c1-15-9-4-2-8(3-5-9)10(12)11-6-7-16(11,13)14/h2-5H,6-7H2,1H3
InChI Key:
UCVDZNOBXGSRRL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)N1CCS1(=O)=O

Properties

Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.261g/mol
Monoisotopic Mass:
241.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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