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120689-98-7 | 4,4,8-Trimethyl-3,4-dihydroquinolin-2(1H)-one
CAS No: 120689-98-7 Catalog No: AG0080UU MDL No:MFCD12913838
Product Description
Catalog Number:
AG0080UU
Chemical Name:
4,4,8-Trimethyl-3,4-dihydroquinolin-2(1H)-one
CAS Number:
120689-98-7
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD12913838
IUPAC Name:
4,4,8-trimethyl-1,3-dihydroquinolin-2-one
InChI:
InChI=1S/C12H15NO/c1-8-5-4-6-9-11(8)13-10(14)7-12(9,2)3/h4-6H,7H2,1-3H3,(H,13,14)
InChI Key:
LLIIGIZPLMNHEA-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C)cccc2C(C1)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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