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820210-81-9 | Formamide, N-[1-(acetyloxy)-2-(9H-xanthen-9-yl)ethyl]-
CAS No: 820210-81-9 Catalog No: AG0053QL MDL No:
Product Description
Catalog Number:
AG0053QL
Chemical Name:
Formamide, N-[1-(acetyloxy)-2-(9H-xanthen-9-yl)ethyl]-
CAS Number:
820210-81-9
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
[1-formamido-2-(9H-xanthen-9-yl)ethyl] acetate
InChI:
InChI=1S/C18H17NO4/c1-12(21)22-18(19-11-20)10-15-13-6-2-4-8-16(13)23-17-9-5-3-7-14(15)17/h2-9,11,15,18H,10H2,1H3,(H,19,20)
InChI Key:
CETGRBIASKPHHJ-UHFFFAOYSA-N
SMILES:
O=CNC(CC1c2ccccc2Oc2c1cccc2)OC(=O)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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