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88342-98-7 | Quinoline, 1,2,3,4-tetrahydro-8-(1-methyl-2-propenyl)-
CAS No: 88342-98-7 Catalog No: AG0046W4 MDL No:
Product Description
Catalog Number:
AG0046W4
Chemical Name:
Quinoline, 1,2,3,4-tetrahydro-8-(1-methyl-2-propenyl)-
CAS Number:
88342-98-7
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
8-but-3-en-2-yl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C13H17N/c1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h3-4,6,8,10,14H,1,5,7,9H2,2H3
InChI Key:
VDRJLYOUZSLAEU-UHFFFAOYSA-N
SMILES:
C=CC(c1cccc2c1NCCC2)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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