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24539-72-8 | 9H-Xanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester
CAS No: 24539-72-8 Catalog No: AG002OGP MDL No:
Product Description
Catalog Number:
AG002OGP
Chemical Name:
9H-Xanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester
CAS Number:
24539-72-8
Molecular Formula:
C20H23NO3
Molecular Weight:
325.4015
IUPAC Name:
2-(diethylamino)ethyl 9H-xanthene-9-carboxylate
InChI:
InChI=1S/C20H23NO3/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3
InChI Key:
HIGMQFBAGGGECD-UHFFFAOYSA-N
SMILES:
CCN(CCOC(=O)C1c2ccccc2Oc2c1cccc2)CC
UNII:
8U0R2UZJ07
NSC Number:
108248
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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