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820210-82-0 | Formamide, N-[1-(acetyloxy)-2-(4-methoxy-9H-xanthen-9-yl)ethyl]-
CAS No: 820210-82-0 Catalog No: AG004YTR MDL No:
Product Description
Catalog Number:
AG004YTR
Chemical Name:
Formamide, N-[1-(acetyloxy)-2-(4-methoxy-9H-xanthen-9-yl)ethyl]-
CAS Number:
820210-82-0
Molecular Formula:
C19H19NO5
Molecular Weight:
341.3579
IUPAC Name:
[1-formamido-2-(4-methoxy-9H-xanthen-9-yl)ethyl] acetate
InChI:
InChI=1S/C19H19NO5/c1-12(22)24-18(20-11-21)10-15-13-6-3-4-8-16(13)25-19-14(15)7-5-9-17(19)23-2/h3-9,11,15,18H,10H2,1-2H3,(H,20,21)
InChI Key:
RCIWJJHBNPBOME-UHFFFAOYSA-N
SMILES:
O=CNC(CC1c2ccccc2Oc2c1cccc2OC)OC(=O)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.363g/mol
Monoisotopic Mass:
341.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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