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4-Nitronaphthalen-2-ol

CAT: 0926-NBA39608-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-NBA39608-01Size:100 mg
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CAS Number
38396-08-6
MDL Number
MFCD17012281
Smiles
C1=CC=C2C (=C1) C=C (C=C2[N+] (=O) [O-]) O
Molecular Formula
C10H7NO3
Molecular Weight
189.17 g/mol
Controlled
No

Chemical Information

4-Nitronaphthalen-2-ol
CAS Number38396-08-6
PubChem CID13398993
IUPAC Name4-nitronaphthalen-2-ol
Molecular FormulaC10H7NO3
Molecular Weight189.17
XLogP2.6
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity226
SMILES
C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])O
InChI
InChI=1S/C10H7NO3/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6,12H
InChIKey
FXDHOYREAWONLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitronaphthalen-2-ol
CAS: 38396-08-6
CID: 13398993
Formula: C10H7NO3
MW: 189.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.17
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass189.042593085
Monoisotopic Mass189.042593085
Topological Polar Surface Area66.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity226
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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