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Home > Nitro Compounds > 5394-81-0
5394-81-0 | methyl 3-hydroxy-4-nitro-2-naphthoate
CAS No: 5394-81-0 Catalog No: AG00JGMW MDL No:MFCD02615337
Product Description
Catalog Number:
AG00JGMW
Chemical Name:
methyl 3-hydroxy-4-nitro-2-naphthoate
CAS Number:
5394-81-0
Molecular Formula:
C12H9NO5
Molecular Weight:
247.2036
MDL Number:
MFCD02615337
IUPAC Name:
methyl 3-hydroxy-4-nitronaphthalene-2-carboxylate
InChI:
InChI=1S/C12H9NO5/c1-18-12(15)9-6-7-4-2-3-5-8(7)10(11(9)14)13(16)17/h2-6,14H,1H3
InChI Key:
SMEAMGOZNIOEDU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2ccccc2c(c1O)[N+](=O)[O-]
NSC Number:
804
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.206g/mol
Monoisotopic Mass:
247.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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