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40546-94-9 | 6-Methyl-4-phenyl-2-chromanone
CAS No: 40546-94-9 Catalog No: AG00395Z MDL No:MFCD03695019
Product Description
Catalog Number:
AG00395Z
Chemical Name:
6-Methyl-4-phenyl-2-chromanone
CAS Number:
40546-94-9
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
MDL Number:
MFCD03695019
IUPAC Name:
6-methyl-4-phenyl-3,4-dihydrochromen-2-one
InChI:
InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3
InChI Key:
SUHIZPDCJOQZLN-UHFFFAOYSA-N
SMILES:
O=C1Oc2ccc(cc2C(C1)c1ccccc1)C
EC Number:
609-846-0
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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