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62484-50-8 | 3-(quinolin-2-yl)prop-2-ynoic acid
CAS No: 62484-50-8 Catalog No: AG01A1A5 MDL No:MFCD20347440
Product Description
Catalog Number:
AG01A1A5
Chemical Name:
3-(quinolin-2-yl)prop-2-ynoic acid
CAS Number:
62484-50-8
Molecular Formula:
C12H7NO2
Molecular Weight:
197.1895
MDL Number:
MFCD20347440
IUPAC Name:
3-quinolin-2-ylprop-2-ynoic acid
InChI:
InChI=1S/C12H7NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,(H,14,15)
InChI Key:
QKNGSLNSFRMXAD-UHFFFAOYSA-N
SMILES:
OC(=O)C#Cc1ccc2c(n1)cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.193g/mol
Monoisotopic Mass:
197.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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