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ethyl (1R,2R)-2-nitrocyclopropane-1-carboxylate

ethyl (1R,2R)-2-nitrocyclopropane-1-carboxylate

CAS: 1287760-02-4

Formula: C6H9NO4

SMILES: CCOC(=O)[C@@H]1C[C@H]1[N+]([O-])=O

IUPAC: ethyl (1R,2R)-2-nitrocyclopropane-1-carboxylate

InChI: InChI=1S/C6H9NO4/c1-2-11-6(8)4-3-5(4)7(9)10/h4-5H,2-3H2,1H3/t4-,5-/m1/s1

Composition: C (45.28%), H (5.70%), N (8.80%), O (40.21%)

Molar Mass: 159.141

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 159.053157774
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XYGGYQYMJUQDKO-RFZPGFLSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.4
Topological Polar Surface Area 69.44
Polarizability 13.91
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1287760-02-4 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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