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20702-05-0 | Phosphanthridine, 5,6-dihydro-5-hydroxy-, 5-oxide
CAS No: 20702-05-0 Catalog No: AG002ITX MDL No:
Product Description
Catalog Number:
AG002ITX
Chemical Name:
Phosphanthridine, 5,6-dihydro-5-hydroxy-, 5-oxide
CAS Number:
20702-05-0
Molecular Formula:
C13H11O2P
Molecular Weight:
230.1990
IUPAC Name:
5-hydroxy-6H-phosphanthridine 5-oxide
InChI:
InChI=1S/C13H11O2P/c14-16(15)9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16/h1-8H,9H2,(H,14,15)
InChI Key:
RNEVSLVIPQIYAQ-UHFFFAOYSA-N
SMILES:
OP1(=O)Cc2ccccc2c2c1cccc2
NSC Number:
112271
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.203g/mol
Monoisotopic Mass:
230.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^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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