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131274-14-1 | Carbamic acid, [2-(cyanomethoxy)ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 131274-14-1 Catalog No: AG000VUH MDL No:
Product Description
Catalog Number:
AG000VUH
Chemical Name:
Carbamic acid, [2-(cyanomethoxy)ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
131274-14-1
Molecular Formula:
C9H16N2O3
Molecular Weight:
200.2349
IUPAC Name:
tert-butyl N-[2-(cyanomethoxy)ethyl]carbamate
InChI:
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h5-7H2,1-3H3,(H,11,12)
InChI Key:
JYPWGBAKIAOMPE-UHFFFAOYSA-N
SMILES:
N#CCOCCNC(=O)OC(C)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.238g/mol
Monoisotopic Mass:
200.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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