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Home > Nitro Compounds > 698-31-7
698-31-7 | 4-nitrosoresorcinol
CAS No: 698-31-7 Catalog No: AG003LWQ MDL No:
Product Description
Catalog Number:
AG003LWQ
Chemical Name:
4-nitrosoresorcinol
CAS Number:
698-31-7
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
IUPAC Name:
4-nitrosobenzene-1,3-diol
InChI:
InChI=1S/C6H5NO3/c8-4-1-2-5(7-10)6(9)3-4/h1-3,8-9H
InChI Key:
BJBGAAAJTDQABC-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1O)O
EC Number:
211-815-8
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.11g/mol
Monoisotopic Mass:
139.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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