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16885-94-2 | 1H-Indole, 1-propyl-
CAS No: 16885-94-2 Catalog No: AG001YCL MDL No:
Product Description
Catalog Number:
AG001YCL
Chemical Name:
1H-Indole, 1-propyl-
CAS Number:
16885-94-2
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
1-propylindole
InChI:
InChI=1S/C11H13N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h3-7,9H,2,8H2,1H3
InChI Key:
LAAHPFCQVWTSIK-UHFFFAOYSA-N
SMILES:
CCCn1ccc2c1cccc2
NSC Number:
93084
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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