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(1R,2R)-1-[(tert-butoxycarbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid

(1R,2R)-1-[(tert-butoxycarbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid

CAS: 401843-70-7

Formula: C15H19NO4

SMILES: CC(C)(C)OC(=O)N[C@@H]1[C@@H](CC2=C1C=CC=C2)C(O)=O

IUPAC: (1R,2R)-1-{[(tert-butoxy)carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid

InChI: InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12-10-7-5-4-6-9(10)8-11(12)13(17)18/h4-7,11-12H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-,12+/m1/s1

Composition: C (64.97%), H (6.91%), N (5.05%), O (23.08%)

Molar Mass: 277.32

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 277.131408096
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VBSZRUPJEYMRLU-NEPJUHHUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.07
Topological Polar Surface Area 75.63
Polarizability 28.61
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 401843-70-7 $1,540.00-$2,860.00$1,540.00$1,760.00$2,860.00
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