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Home > Nitro Compounds > 148350-73-6
148350-73-6 | 1-(2-(1,3-dioxolan-2-yl)-3-hydroxy-2-methyl-6-nitrochroman-4-yl)pyrrolidin-2-one
CAS No: 148350-73-6 Catalog No: AG01DFTY MDL No:
Product Description
Catalog Number:
AG01DFTY
Chemical Name:
1-(2-(1,3-dioxolan-2-yl)-3-hydroxy-2-methyl-6-nitrochroman-4-yl)pyrrolidin-2-one
CAS Number:
148350-73-6
Molecular Formula:
C17H20N2O7
Molecular Weight:
364.3499
IUPAC Name:
1-[2-(1,3-dioxolan-2-yl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
InChI:
InChI=1S/C17H20N2O7/c1-17(16-24-7-8-25-16)15(21)14(18-6-2-3-13(18)20)11-9-10(19(22)23)4-5-12(11)26-17/h4-5,9,14-16,21H,2-3,6-8H2,1H3
InChI Key:
YEJOAGQKTQLWHV-UHFFFAOYSA-N
SMILES:
O=C1CCCN1C1c2cc(ccc2OC(C1O)(C)C1OCCO1)[N+](=O)[O-]
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.354g/mol
Monoisotopic Mass:
364.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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