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7259-89-4 | 1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester
CAS No: 7259-89-4 Catalog No: AG005FTD MDL No:
Product Description
Catalog Number:
AG005FTD
Chemical Name:
1,3-Benzenedicarboxylicacid, 5-nitro-, 1,3-bis(2-hydroxyethyl) ester
CAS Number:
7259-89-4
Molecular Formula:
C12H13NO8
Molecular Weight:
299.2335
IUPAC Name:
bis(2-hydroxyethyl) 5-nitrobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C12H13NO8/c14-1-3-20-11(16)8-5-9(12(17)21-4-2-15)7-10(6-8)13(18)19/h5-7,14-15H,1-4H2
InChI Key:
DVVHFUKYLNIPIH-UHFFFAOYSA-N
SMILES:
OCCOC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCO
EC Number:
230-680-6
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.235g/mol
Monoisotopic Mass:
299.064g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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