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27500-39-6 | 4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl-
CAS No: 27500-39-6 Catalog No: AG002TY3 MDL No:
Product Description
Catalog Number:
AG002TY3
Chemical Name:
4H-1-Benzopyran-4-one, 8-[(dimethylamino)methyl]-7-hydroxy-2-phenyl-
CAS Number:
27500-39-6
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
8-[(dimethylamino)methyl]-7-hydroxy-2-phenylchromen-4-one
InChI:
InChI=1S/C18H17NO3/c1-19(2)11-14-15(20)9-8-13-16(21)10-17(22-18(13)14)12-6-4-3-5-7-12/h3-10,20H,11H2,1-2H3
InChI Key:
CTTNILKNJDAMIA-UHFFFAOYSA-N
SMILES:
CN(Cc1c(O)ccc2c1oc(cc2=O)c1ccccc1)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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