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81124-52-9 | 3-(quinolin-4-yl)prop-2-enoic acid
CAS No: 81124-52-9 Catalog No: AG01AJCL MDL No:MFCD00137153
Product Description
Catalog Number:
AG01AJCL
Chemical Name:
3-(quinolin-4-yl)prop-2-enoic acid
CAS Number:
81124-52-9
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD00137153
IUPAC Name:
3-quinolin-4-ylprop-2-enoic acid
InChI:
InChI=1S/C12H9NO2/c14-12(15)6-5-9-7-8-13-11-4-2-1-3-10(9)11/h1-8H,(H,14,15)
InChI Key:
GDCNAOKZXWMIJA-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccnc2c1cccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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