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Home > Nitro Compounds > 88353-18-8
88353-18-8 | 2H-1-Benzopyran-2-one, 4-methoxy-3-nitro-
CAS No: 88353-18-8 Catalog No: AG0045AH MDL No:MFCD00123364
Product Description
Catalog Number:
AG0045AH
Chemical Name:
2H-1-Benzopyran-2-one, 4-methoxy-3-nitro-
CAS Number:
88353-18-8
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
MDL Number:
MFCD00123364
IUPAC Name:
4-methoxy-3-nitrochromen-2-one
InChI:
InChI=1S/C10H7NO5/c1-15-9-6-4-2-3-5-7(6)16-10(12)8(9)11(13)14/h2-5H,1H3
InChI Key:
BTTOONAXXUOYSY-UHFFFAOYSA-N
SMILES:
COc1c([N+](=O)[O-])c(=O)oc2c1cccc2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.168g/mol
Monoisotopic Mass:
221.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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