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89661-34-7 | Carbamic acid, dimethyl-, 5-[(octylthio)methyl]-3-isoxazolyl ester
CAS No: 89661-34-7 Catalog No: AG0044VS MDL No:
Product Description
Catalog Number:
AG0044VS
Chemical Name:
Carbamic acid, dimethyl-, 5-[(octylthio)methyl]-3-isoxazolyl ester
CAS Number:
89661-34-7
Molecular Formula:
C15H26N2O3S
Molecular Weight:
314.4435
IUPAC Name:
[5-(octylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C15H26N2O3S/c1-4-5-6-7-8-9-10-21-12-13-11-14(16-20-13)19-15(18)17(2)3/h11H,4-10,12H2,1-3H3
InChI Key:
AJQKVUQYTJFTNE-UHFFFAOYSA-N
SMILES:
CCCCCCCCSCc1onc(c1)OC(=O)N(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.166g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.444g/mol
Monoisotopic Mass:
314.166g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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