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1823497-00-2 | tert-butyl (3-ethynylcyclopentyl)carbamate
CAS No: 1823497-00-2 Catalog No: AG01FN5H MDL No:MFCD29046275
Product Description
Catalog Number:
AG01FN5H
Chemical Name:
tert-butyl (3-ethynylcyclopentyl)carbamate
CAS Number:
1823497-00-2
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
MDL Number:
MFCD29046275
IUPAC Name:
tert-butyl N-(3-ethynylcyclopentyl)carbamate
InChI:
InChI=1S/C12H19NO2/c1-5-9-6-7-10(8-9)13-11(14)15-12(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,13,14)
InChI Key:
DTHXBYFRDCALDU-UHFFFAOYSA-N
SMILES:
C#CC1CCC(C1)NC(=O)OC(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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