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(1R,2R,3S,4S)-3-[(tert-butoxycarbonyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

(1R,2R,3S,4S)-3-[(tert-butoxycarbonyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

CAS: 148257-06-1

Formula: C13H19NO4

SMILES: CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](C=C2)[C@H]1C(O)=O

IUPAC: (1R,2R,3S,4S)-3-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

InChI: InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h4-5,7-10H,6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9-,10-/m0/s1

Composition: C (61.64%), H (7.56%), N (5.53%), O (25.27%)

Molar Mass: 253.298

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 253.131408096
Formal Charge 0
FSP3 0.69
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZPMJBHUNSHDFPT-JLIMGVALSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.63
Topological Polar Surface Area 75.63
Polarizability 25.45
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 148257-06-1 $129.38-$2,978.73$129.38$280.49$479.21$836.28$1,717.07$2,978.73
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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 148257-06-1 $138.00-$2,718.60$138.00$274.85$454.25$778.55$1,575.50$2,718.60
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