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88611-48-7 | 1-(1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one
CAS No: 88611-48-7 Catalog No: AG01BA33 MDL No:MFCD12091081
Product Description
Catalog Number:
AG01BA33
Chemical Name:
1-(1,2,3,4-tetrahydroquinolin-1-yl)prop-2-en-1-one
CAS Number:
88611-48-7
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD12091081
IUPAC Name:
1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
InChI:
InChI=1S/C12H13NO/c1-2-12(14)13-9-5-7-10-6-3-4-8-11(10)13/h2-4,6,8H,1,5,7,9H2
InChI Key:
JYOFGCWMMXFROS-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCCc2c1cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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