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754190-58-4 | 2-Propenoic acid, 3-(8-quinolinyl)-, (2E)-
CAS No: 754190-58-4 Catalog No: AG005XTF MDL No:MFCD06205333
Product Description
Catalog Number:
AG005XTF
Chemical Name:
2-Propenoic acid, 3-(8-quinolinyl)-, (2E)-
CAS Number:
754190-58-4
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD06205333
IUPAC Name:
(E)-3-quinolin-8-ylprop-2-enoic acid
InChI:
InChI=1S/C12H9NO2/c14-11(15)7-6-10-4-1-3-9-5-2-8-13-12(9)10/h1-8H,(H,14,15)/b7-6+
InChI Key:
JIEIJAGBFCDWPA-VOTSOKGWSA-N
SMILES:
OC(=O)/C=C/c1cccc2c1nccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
2.2
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