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Home > Nitro Compounds > 82628-84-0
82628-84-0 | 4-Nitrophlorizin
CAS No: 82628-84-0 Catalog No: AG0052HA MDL No:
Product Description
Catalog Number:
AG0052HA
Chemical Name:
4-Nitrophlorizin
CAS Number:
82628-84-0
Molecular Formula:
C21H23NO11
Molecular Weight:
465.4074
IUPAC Name:
1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-nitrophenyl)propan-1-one
InChI:
InChI=1S/C21H23NO11/c23-9-16-18(27)19(28)20(29)21(33-16)32-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(5-2-10)22(30)31/h1-2,4-5,7-8,16,18-21,23-24,26-29H,3,6,9H2
InChI Key:
UZMKMTNQYIJXTD-UHFFFAOYSA-N
SMILES:
OCC1OC(Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)[N+](=O)[O-])O)C(C(C1O)O)O
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.127g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
465.411g/mol
Monoisotopic Mass:
465.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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