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19817-10-8 | 1(2H)-Phenanthrenone, 3,4-dihydro-9-methoxy-
CAS No: 19817-10-8 Catalog No: AG002BCD MDL No:
Product Description
Catalog Number:
AG002BCD
Chemical Name:
1(2H)-Phenanthrenone, 3,4-dihydro-9-methoxy-
CAS Number:
19817-10-8
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
9-methoxy-3,4-dihydro-2H-phenanthren-1-one
InChI:
InChI=1S/C15H14O2/c1-17-15-9-13-11(7-4-8-14(13)16)10-5-2-3-6-12(10)15/h2-3,5-6,9H,4,7-8H2,1H3
InChI Key:
LGNAJZFISQSLGU-UHFFFAOYSA-N
SMILES:
COc1cc2C(=O)CCCc2c2c1cccc2
NSC Number:
97644
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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