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128740-03-4 | Carbamic acid, N-(2-oxoethyl)-N-2-propen-1-yl-, ethyl ester
CAS No: 128740-03-4 Catalog No: AG000YCB MDL No:MFCD09953121
Product Description
Catalog Number:
AG000YCB
Chemical Name:
Carbamic acid, N-(2-oxoethyl)-N-2-propen-1-yl-, ethyl ester
CAS Number:
128740-03-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD09953121
IUPAC Name:
ethyl N-(2-oxoethyl)-N-prop-2-enylcarbamate
InChI:
InChI=1S/C8H13NO3/c1-3-5-9(6-7-10)8(11)12-4-2/h3,7H,1,4-6H2,2H3
InChI Key:
IQQODTFRDRREIO-UHFFFAOYSA-N
SMILES:
C=CCN(C(=O)OCC)CC=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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