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70437-05-7 | 3-quinolin-3-ylprop-2-yn-1-ol
CAS No: 70437-05-7 Catalog No: AG00J10X MDL No:MFCD02737713
Product Description
Catalog Number:
AG00J10X
Chemical Name:
3-quinolin-3-ylprop-2-yn-1-ol
CAS Number:
70437-05-7
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD02737713
IUPAC Name:
3-quinolin-3-ylprop-2-yn-1-ol
InChI:
InChI=1S/C12H9NO/c14-7-3-4-10-8-11-5-1-2-6-12(11)13-9-10/h1-2,5-6,8-9,14H,7H2
InChI Key:
BATAIOGYFWEXQV-UHFFFAOYSA-N
SMILES:
OCC#Cc1cnc2c(c1)cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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