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1-[(tert-butoxycarbonyl)amino]cyclohexane-1,4-dicarboxylic acid

1-[(tert-butoxycarbonyl)amino]cyclohexane-1,4-dicarboxylic acid

Formula: C13H21NO6

SMILES: CC(C)(C)OC(=O)NC1(CCC(CC1)C(O)=O)C(O)=O

IUPAC: 1-{[(tert-butoxy)carbonyl]amino}cyclohexane-1,4-dicarboxylic acid

InChI: InChI=1S/C13H21NO6/c1-12(2,3)20-11(19)14-13(10(17)18)6-4-8(5-7-13)9(15)16/h8H,4-7H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)

Composition: C (54.35%), H (7.37%), N (4.88%), O (33.41%)

Molar Mass: 287.312

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 287.1368874
Formal Charge 0
FSP3 0.77
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey PKYWWICIZKPDOC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.17
Topological Polar Surface Area 112.93
Polarizability 27.06
Ring Count 1
Rotatable Bond Count 5

Suppliers

Purity (%)
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Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C13H21NO6 $2,310.00-$4,070.00$2,310.00$3,124.00$4,070.00
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