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754190-68-6 | 3-(quinolin-6-yl)prop-2-enoic acid
CAS No: 754190-68-6 Catalog No: AG019UMT MDL No:MFCD06227803
Product Description
Catalog Number:
AG019UMT
Chemical Name:
3-(quinolin-6-yl)prop-2-enoic acid
CAS Number:
754190-68-6
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD06227803
IUPAC Name:
3-quinolin-6-ylprop-2-enoic acid
InChI:
InChI=1S/C12H9NO2/c14-12(15)6-4-9-3-5-11-10(8-9)2-1-7-13-11/h1-8H,(H,14,15)
InChI Key:
OYENPJNMULTOEZ-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc2c(c1)cccn2
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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