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

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

CAS: 2231666-36-5

Formula: C12H21NO3

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

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

InChI: InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10-6-4-5-9(7-10)8-14/h8-10H,4-7H2,1-3H3,(H,13,15)/t9-,10-/m1/s1

Composition: C (63.41%), H (9.31%), N (6.16%), O (21.12%)

Molar Mass: 227.304

Atom Count: 37

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 227.15214354
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HFZOJUONOHDPHP-NXEZZACHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.12
Topological Polar Surface Area 55.4
Polarizability 24.1
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2231666-36-5 $244.63-$1,008.80$244.63$392.17$673.37$1,008.80
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