Home Carbonyls 2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,1-dioxo-1lambda6-thiomorpholin-2-yl)acetic acid

2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,1-dioxo-1lambda6-thiomorpholin-2-yl)acetic acid

CAS No.:
2137761-07-8
Catalog Number:
AG01EKYV
Molecular Formula:
C21H21NO6S
Molecular Weight:
415.4595
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Product Description
Catalog Number:
AG01EKYV
Chemical Name:
2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,1-dioxo-1lambda6-thiomorpholin-2-yl)acetic acid
CAS Number:
2137761-07-8
Molecular Formula:
C21H21NO6S
Molecular Weight:
415.4595
MDL Number:
MFCD31421842
IUPAC Name:
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-1,1-dioxo-1,4-thiazinan-2-yl]acetic acid
InChI:
InChI=1S/C21H21NO6S/c23-20(24)11-14-12-22(9-10-29(14,26)27)21(25)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)
InChI Key:
LVUXMQFWQRXKER-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CN(CCS1(=O)=O)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
710  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.109g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
415.46g/mol
Monoisotopic Mass:
415.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties