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142071-25-8 | Propanedioic acid, 2-diazo-, 1-[2-(1-cyclohexen-1-yl)-2-(phenylthio)ethyl] 3-ethyl ester
CAS No: 142071-25-8 Catalog No: AG001HPH MDL No:
Product Description
Catalog Number:
AG001HPH
Chemical Name:
Propanedioic acid, 2-diazo-, 1-[2-(1-cyclohexen-1-yl)-2-(phenylthio)ethyl] 3-ethyl ester
CAS Number:
142071-25-8
Molecular Formula:
C19H22N2O4S
Molecular Weight:
374.4540
IUPAC Name:
3-[1-(cyclohexen-1-yl)-4-phenylsulfanylbutan-2-yl]oxy-2-diazo-3-oxopropanoate
InChI:
InChI=1S/C19H22N2O4S/c20-21-17(18(22)23)19(24)25-15(13-14-7-3-1-4-8-14)11-12-26-16-9-5-2-6-10-16/h2,5-7,9-10,15H,1,3-4,8,11-13H2,(H,22,23)/p-1
InChI Key:
GUYUCQYFTQQVKL-UHFFFAOYSA-M
SMILES:
CCOC(=O)C(=[N+]=[N-])C(=O)OCC(C1=CCCCC1)Sc1ccccc1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.122g/mol
Formal Charge:
-1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.447g/mol
Monoisotopic Mass:
373.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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