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87974-50-3 | Benzaldehyde, 2-hydroxy-5-nitro-, oxime, (E)-
CAS No: 87974-50-3 Catalog No: AG004IFA MDL No:MFCD00593275
Product Description
Catalog Number:
AG004IFA
Chemical Name:
Benzaldehyde, 2-hydroxy-5-nitro-, oxime, (E)-
CAS Number:
87974-50-3
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD00593275
IUPAC Name:
2-[(E)-hydroxyiminomethyl]-4-nitrophenol
InChI:
InChI=1S/C7H6N2O4/c10-7-2-1-6(9(12)13)3-5(7)4-8-11/h1-4,10-11H/b8-4+
InChI Key:
DVBKBUGAIYQNOE-XBXARRHUSA-N
SMILES:
O/N=C/c1cc(ccc1O)[N+](=O)[O-]
NSC Number:
45457
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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