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Home > Nitro Compounds > 66907-52-6
66907-52-6 | 3,4,5-TRIMETHOXY-2-NITROBENZOIC ACID
CAS No: 66907-52-6 Catalog No: AG00FAPK MDL No:MFCD00017005
Product Description
Catalog Number:
AG00FAPK
Chemical Name:
3,4,5-TRIMETHOXY-2-NITROBENZOIC ACID
CAS Number:
66907-52-6
Molecular Formula:
C10H11NO7
Molecular Weight:
257.1968
MDL Number:
MFCD00017005
IUPAC Name:
3,4,5-trimethoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C10H11NO7/c1-16-6-4-5(10(12)13)7(11(14)15)9(18-3)8(6)17-2/h4H,1-3H3,(H,12,13)
InChI Key:
VPVAFLFJAAPHKI-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(c(c1OC)OC)[N+](=O)[O-]
EC Number:
266-518-6
NSC Number:
100936
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.198g/mol
Monoisotopic Mass:
257.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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