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1-(tert-butoxycarbonyl)azepane-2-carboxylic acid

1-(tert-butoxycarbonyl)azepane-2-carboxylic acid

CAS: 1034708-26-3

Formula: C12H21NO4

SMILES: CC(C)(C)OC(=O)N1CCCCCC1C(O)=O

IUPAC: 1-[(tert-butoxy)carbonyl]azepane-2-carboxylic acid

InChI: InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-8-6-4-5-7-9(13)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)

Composition: C (59.24%), H (8.70%), N (5.76%), O (26.30%)

Molar Mass: 243.303

Atom Count: 38

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 243.14705816
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BKMVFOKQLCHCPK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.26
Topological Polar Surface Area 66.84
Polarizability 24.58
Ring Count 1
Rotatable Bond Count 3

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Chemcia Scientific, LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1034708-26-3 $172.50-$276.00$172.50$276.00
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J&W PHARMLAB LLC
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97% <2 Days 1034708-26-3 $157.55-$6,762.00$157.55$201.25$286.35$457.70$1,828.50$6,762.00
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