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Home > Nitro Compounds > 81486-19-3
81486-19-3 | Carbonic acid ethyl 3-nitrooxychroman-8-yl ester
CAS No: 81486-19-3 Catalog No: AG00GMSR MDL No:
Product Description
Catalog Number:
AG00GMSR
Chemical Name:
Carbonic acid ethyl 3-nitrooxychroman-8-yl ester
CAS Number:
81486-19-3
IUPAC Name:
(8-ethoxycarbonyloxy-3,4-dihydro-2H-chromen-3-yl)oxy-hydroxy-oxoazanium
InChI:
InChI=1S/C12H14NO7/c1-2-17-12(14)19-10-5-3-4-8-6-9(20-13(15)16)7-18-11(8)10/h3-5,9H,2,6-7H2,1H3,(H,15,16)/q+1
InChI Key:
KTCOIOHQEVEKTG-UHFFFAOYSA-N
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.077g/mol
Formal Charge:
1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.244g/mol
Monoisotopic Mass:
284.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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