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Home > Nitro Compounds > 74827-78-4
74827-78-4 | Carbonic acid, 5,8-dihydro-4-hydroxy-5,8-dioxo-1-naphthalenyl(4-nitrophenyl)methyl ester
CAS No: 74827-78-4 Catalog No: AG005GW2 MDL No:
Product Description
Catalog Number:
AG005GW2
Chemical Name:
Carbonic acid, 5,8-dihydro-4-hydroxy-5,8-dioxo-1-naphthalenyl(4-nitrophenyl)methyl ester
CAS Number:
74827-78-4
Molecular Formula:
C18H10NO8-
Molecular Weight:
368.2739
IUPAC Name:
[(4-hydroxy-5,8-dioxonaphthalen-1-yl)-(4-nitrophenyl)methyl] carbonate
InChI:
InChI=1S/C18H11NO8/c20-12-7-8-14(22)16-13(21)6-5-11(15(12)16)17(27-18(23)24)9-1-3-10(4-2-9)19(25)26/h1-8,17,21H,(H,23,24)/p-1
InChI Key:
URIKVUXKDUBSHY-UHFFFAOYSA-M
SMILES:
[O-]C(=O)OC(c1ccc(c2c1C(=O)C=CC2=O)O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.041g/mol
Formal Charge:
-1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.277g/mol
Monoisotopic Mass:
368.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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