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113493-33-7 | 9H-Xanthen-9-ol, 9-[4-(dimethylamino)phenyl]-
CAS No: 113493-33-7 Catalog No: AG0008QR MDL No:
Product Description
Catalog Number:
AG0008QR
Chemical Name:
9H-Xanthen-9-ol, 9-[4-(dimethylamino)phenyl]-
CAS Number:
113493-33-7
Molecular Formula:
C21H19NO2
Molecular Weight:
317.3811
IUPAC Name:
9-[4-(dimethylamino)phenyl]xanthen-9-ol
InChI:
InChI=1S/C21H19NO2/c1-22(2)16-13-11-15(12-14-16)21(23)17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)21/h3-14,23H,1-2H3
InChI Key:
NXTZGUNLRGPKKE-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C1(O)c2ccccc2Oc2c1cccc2)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.388g/mol
Monoisotopic Mass:
317.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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