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89586-25-4 | 1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-2-hydroxy-3-nitro-
CAS No: 89586-25-4 Catalog No: AG003Z44 MDL No:
Product Description
Catalog Number:
AG003Z44
Chemical Name:
1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-2-hydroxy-3-nitro-
CAS Number:
89586-25-4
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
IUPAC Name:
2-hydroxy-3-nitro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
InChI:
InChI=1S/C11H11NO5/c13-10-8(12(16)17)5-6-3-1-2-4-7(6)9(10)11(14)15/h5,13H,1-4H2,(H,14,15)
InChI Key:
FDBYMUXRPNBHPU-UHFFFAOYSA-N
SMILES:
OC(=O)c1c2CCCCc2cc(c1O)[N+](=O)[O-]
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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