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Home > Indoles and Oxindole > 889954-66-9
889954-66-9 | 5-[4-(1,3-Dioxolan-2-yl)phenyl]indoline
CAS No: 889954-66-9 Catalog No: AG01EYJ4 MDL No:
Product Description
Catalog Number:
AG01EYJ4
Chemical Name:
5-[4-(1,3-Dioxolan-2-yl)phenyl]indoline
CAS Number:
889954-66-9
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
5-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydro-1H-indole
InChI:
InChI=1S/C17H17NO2/c1-3-13(17-19-9-10-20-17)4-2-12(1)14-5-6-16-15(11-14)7-8-18-16/h1-6,11,17-18H,7-10H2
InChI Key:
FWGRJBUXQFDIRD-UHFFFAOYSA-N
SMILES:
C1COC(O1)c1ccc(cc1)c1ccc2c(c1)CCN2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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