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130209-96-0 | 1-Naphthaleneethanol, 1-nitrate
CAS No: 130209-96-0 Catalog No: AG000U57 MDL No:
Product Description
Catalog Number:
AG000U57
Chemical Name:
1-Naphthaleneethanol, 1-nitrate
CAS Number:
130209-96-0
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
2-naphthalen-1-ylethanol;nitric acid
InChI:
InChI=1S/C12H12O.HNO3/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;2-1(3)4/h1-7,13H,8-9H2;(H,2,3,4)
InChI Key:
OLZSPOFZZYAZGN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OCCc1cccc2c1cccc2
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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