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88558-40-1 | Carbamic acid, cyclohexyl-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS No: 88558-40-1 Catalog No: AG008BKM MDL No:
Product Description
Catalog Number:
AG008BKM
Chemical Name:
Carbamic acid, cyclohexyl-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS Number:
88558-40-1
Molecular Formula:
C12H18INO3
Molecular Weight:
351.1807
IUPAC Name:
2-(3-iodoprop-2-ynoxy)ethyl N-cyclohexylcarbamate
InChI:
InChI=1S/C12H18INO3/c13-7-4-8-16-9-10-17-12(15)14-11-5-2-1-3-6-11/h11H,1-3,5-6,8-10H2,(H,14,15)
InChI Key:
IRNUCMHTWYCWCQ-UHFFFAOYSA-N
SMILES:
IC#CCOCCOC(=O)NC1CCCCC1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.184g/mol
Monoisotopic Mass:
351.033g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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