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Home > Nitro Compounds > 119580-75-5
119580-75-5 | 1-Pyrrolidinyloxy, 3-(methoxycarbonyl)-2,2,5,5-tetramethyl-4-(nitromethyl)-, (3R,4S)-rel- (9CI)
CAS No: 119580-75-5 Catalog No: AG000IYY MDL No:
Product Description
Catalog Number:
AG000IYY
Chemical Name:
1-Pyrrolidinyloxy, 3-(methoxycarbonyl)-2,2,5,5-tetramethyl-4-(nitromethyl)-, (3R,4S)-rel- (9CI)
CAS Number:
119580-75-5
Molecular Formula:
C11H19N2O5
Molecular Weight:
259.2790
IUPAC Name:
methyl (3R,4S)-1-λ1-oxidanyl-2,2,5,5-tetramethyl-4-(nitromethyl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C11H19N2O5/c1-10(2)7(6-12(15)16)8(9(14)18-5)11(3,4)13(10)17/h7-8H,6H2,1-5H3/t7-,8+/m1/s1
InChI Key:
BIXMQWQHWAPHJD-SFYZADRCSA-N
SMILES:
COC(=O)[C@@H]1[C@@H](C[N+](=O)[O-])C(N(C1(C)C)[O])(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.282g/mol
Monoisotopic Mass:
259.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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