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89661-35-8 | Carbamic acid, dimethyl-, 5-[(2-propenylthio)methyl]-3-isoxazolyl ester
CAS No: 89661-35-8 Catalog No: AG0088MJ MDL No:
Product Description
Catalog Number:
AG0088MJ
Chemical Name:
Carbamic acid, dimethyl-, 5-[(2-propenylthio)methyl]-3-isoxazolyl ester
CAS Number:
89661-35-8
Molecular Formula:
C10H14N2O3S
Molecular Weight:
242.2948
IUPAC Name:
[5-(prop-2-enylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C10H14N2O3S/c1-4-5-16-7-8-6-9(11-15-8)14-10(13)12(2)3/h4,6H,1,5,7H2,2-3H3
InChI Key:
DGKKZFBGRXEVOM-UHFFFAOYSA-N
SMILES:
C=CCSCc1onc(c1)OC(=O)N(C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.293g/mol
Monoisotopic Mass:
242.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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