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tert-butyl N-{[(prop-2-yn-1-yl)carbamoyl]methyl}carbamate

tert-butyl N-{[(prop-2-yn-1-yl)carbamoyl]methyl}carbamate

CAS: 847490-49-7

Formula: C10H16N2O3

SMILES: CC(C)(C)OC(=O)NCC(=O)NCC#C

IUPAC: tert-butyl N-{[(prop-2-yn-1-yl)carbamoyl]methyl}carbamate

InChI: InChI=1S/C10H16N2O3/c1-5-6-11-8(13)7-12-9(14)15-10(2,3)4/h1H,6-7H2,2-4H3,(H,11,13)(H,12,14)

Composition: C (56.59%), H (7.60%), N (13.20%), O (22.61%)

Molar Mass: 212.249

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 212.116092383
Formal Charge 0
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey NPLMGRUYTUJKAQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.18
Topological Polar Surface Area 67.43
Polarizability 21.22
Ring Count 0
Rotatable Bond Count 5

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95% 1 Day 847490-49-7 $235.87-$825.55$235.87$412.78$825.55
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