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173783-48-7 | Ethanol, 2-[(1,3-diamino-1H-isoindol-1-yl)oxy]-
CAS No: 173783-48-7 Catalog No: AG001Z62 MDL No:
Product Description
Catalog Number:
AG001Z62
Chemical Name:
Ethanol, 2-[(1,3-diamino-1H-isoindol-1-yl)oxy]-
CAS Number:
173783-48-7
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.2291
IUPAC Name:
2-(1,3-diaminoisoindol-1-yl)oxyethanol
InChI:
InChI=1S/C10H13N3O2/c11-9-7-3-1-2-4-8(7)10(12,13-9)15-6-5-14/h1-4,14H,5-6,12H2,(H2,11,13)
InChI Key:
DBHZGTMRRXWSCT-UHFFFAOYSA-N
SMILES:
OCCOC1(N)N=C(c2c1cccc2)N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.233g/mol
Monoisotopic Mass:
207.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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