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1022580-78-4 | 2-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)methylidene]-2,3-dihydro-1H-indene-1,3-dione
CAS No: 1022580-78-4 Catalog No: AG00J02U MDL No:MFCD00245883
Product Description
Catalog Number:
AG00J02U
Chemical Name:
2-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)methylidene]-2,3-dihydro-1H-indene-1,3-dione
CAS Number:
1022580-78-4
Molecular Formula:
C20H17NO2
Molecular Weight:
303.3545
MDL Number:
MFCD00245883
IUPAC Name:
2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methylidene]indene-1,3-dione
InChI:
InChI=1S/C20H17NO2/c1-13-8-9-18-14(11-13)5-4-10-21(18)12-17-19(22)15-6-2-3-7-16(15)20(17)23/h2-3,6-9,11-12H,4-5,10H2,1H3
InChI Key:
XQLUSRHNQAPKJI-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CCCN2C=C1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.361g/mol
Monoisotopic Mass:
303.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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