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88310-47-8 | Carbamic acid, 1-propenyl-, 4-[(methylthio)acetyl]phenyl ester
CAS No: 88310-47-8 Catalog No: AG004902 MDL No:
Product Description
Catalog Number:
AG004902
Chemical Name:
Carbamic acid, 1-propenyl-, 4-[(methylthio)acetyl]phenyl ester
CAS Number:
88310-47-8
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
IUPAC Name:
[4-(2-methylsulfanylacetyl)phenyl] N-prop-1-enylcarbamate
InChI:
InChI=1S/C13H15NO3S/c1-3-8-14-13(16)17-11-6-4-10(5-7-11)12(15)9-18-2/h3-8H,9H2,1-2H3,(H,14,16)
InChI Key:
MLHZOMSLQMJRSL-UHFFFAOYSA-N
SMILES:
CSCC(=O)c1ccc(cc1)OC(=O)NC=CC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.327g/mol
Monoisotopic Mass:
265.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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