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Home > Quinoline > 1550056-39-7
1550056-39-7 | 4-[2-(OXIRAN-2-YL)ETHYL]QUINOLINE
CAS No: 1550056-39-7 Catalog No: AG01DVMM MDL No:MFCD24203583
Product Description
Catalog Number:
AG01DVMM
Chemical Name:
4-[2-(OXIRAN-2-YL)ETHYL]QUINOLINE
CAS Number:
1550056-39-7
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD24203583
IUPAC Name:
4-[2-(oxiran-2-yl)ethyl]quinoline
InChI:
InChI=1S/C13H13NO/c1-2-4-13-12(3-1)10(7-8-14-13)5-6-11-9-15-11/h1-4,7-8,11H,5-6,9H2
InChI Key:
KXCUZCGIYOSLTN-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(CCC1CO1)ccn2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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