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1-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid

1-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid

CAS: 623570-26-3

Formula: C16H21NO4

SMILES: OC(=O)C1(CNC(=O)OCC2=CC=CC=C2)CCCCC1

IUPAC: 1-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid

InChI: InChI=1S/C16H21NO4/c18-14(19)16(9-5-2-6-10-16)12-17-15(20)21-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,20)(H,18,19)

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 291.14705816
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WLRYZVGUTUVQEF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.46
Topological Polar Surface Area 75.63
Polarizability 30.45
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 623570-26-3 $1,472.00-$7,912.00$1,472.00$2,162.00$7,912.00
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