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77359-11-6 | 3-((4-Nitrobenzyl)oxy)-3-oxopropanoic acid
CAS No: 77359-11-6 Catalog No: AG003LVD MDL No:MFCD00191556
Product Description
Catalog Number:
AG003LVD
Chemical Name:
3-((4-Nitrobenzyl)oxy)-3-oxopropanoic acid
CAS Number:
77359-11-6
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00191556
IUPAC Name:
3-[(4-nitrophenyl)methoxy]-3-oxopropanoic acid
InChI:
InChI=1S/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)
InChI Key:
RIGFMUNSTCPGNP-UHFFFAOYSA-N
SMILES:
OC(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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