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118811-34-0

118811-34-0 | Carbamic acid,[5-[[(4-methylphenyl)sulfonyl]oxy]pentyl]-, 1,1-dimethylethyl ester (9CI)

CAS No: 118811-34-0 Catalog No: AG0038B1 MDL No:MFCD07776967

Product Description

Catalog Number:
AG0038B1
Chemical Name:
Carbamic acid,[5-[[(4-methylphenyl)sulfonyl]oxy]pentyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
118811-34-0
Molecular Formula:
C17H27NO5S
Molecular Weight:
357.4650
MDL Number:
MFCD07776967
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H27NO5S/c1-14-8-10-15(11-9-14)24(20,21)22-13-7-5-6-12-18-16(19)23-17(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,18,19)
InChI Key:
RAOOQXZPVIXTHJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCCCOS(=O)(=O)c1ccc(cc1)C

Properties

Complexity:
470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.161g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
357.465g/mol
Monoisotopic Mass:
357.161g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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