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tert-butyl N-[(1R,3R)-3-hydroxycycloheptyl]carbamate

tert-butyl N-[(1R,3R)-3-hydroxycycloheptyl]carbamate

CAS: 2716849-00-0

Formula: C12H23NO3

SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H](O)C1

IUPAC: tert-butyl N-[(1R,3R)-3-hydroxycycloheptyl]carbamate

InChI: InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-9-6-4-5-7-10(14)8-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10-/m1/s1

Composition: C (62.85%), H (10.11%), N (6.11%), O (20.93%)

Molar Mass: 229.32

Atom Count: 39

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 229.167793605
Formal Charge 0
FSP3 0.92
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey HBWLTSDYLCAHDX-NXEZZACHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.03
Topological Polar Surface Area 58.56
Polarizability 24.64
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2716849-00-0 $342.70-$6,762.00$342.70$457.70$687.70$1,127.00$1,817.00$6,762.00
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