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168684-98-8 | ACETONITRILE, 2-[(2,3-DIHYDRO-1H-INDOL-7-YL)OXY]-
CAS No: 168684-98-8 Catalog No: AG007VGY MDL No:
Product Description
Catalog Number:
AG007VGY
Chemical Name:
ACETONITRILE, 2-[(2,3-DIHYDRO-1H-INDOL-7-YL)OXY]-
CAS Number:
168684-98-8
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
2-(2,3-dihydro-1H-indol-7-yloxy)acetonitrile
InChI:
InChI=1S/C10H10N2O/c11-5-7-13-9-3-1-2-8-4-6-12-10(8)9/h1-3,12H,4,6-7H2
InChI Key:
OXHQIJAEOOKVQO-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc2c1NCC2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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