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88558-51-4 | Carbamic acid, ethyl-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS No: 88558-51-4 Catalog No: AG004E3B MDL No:
Product Description
Catalog Number:
AG004E3B
Chemical Name:
Carbamic acid, ethyl-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS Number:
88558-51-4
Molecular Formula:
C8H12INO3
Molecular Weight:
297.0903
IUPAC Name:
2-(3-iodoprop-2-ynoxy)ethyl N-ethylcarbamate
InChI:
InChI=1S/C8H12INO3/c1-2-10-8(11)13-7-6-12-5-3-4-9/h2,5-7H2,1H3,(H,10,11)
InChI Key:
MKTJXXALIWNRGJ-UHFFFAOYSA-N
SMILES:
IC#CCOCCOC(=O)NCC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.986g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.092g/mol
Monoisotopic Mass:
296.986g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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