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14575-25-8 | 2-Buten-1-one, 4-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-phenyl-
CAS No: 14575-25-8 Catalog No: AG001DDD MDL No:
Product Description
Catalog Number:
AG001DDD
Chemical Name:
2-Buten-1-one, 4-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-phenyl-
CAS Number:
14575-25-8
Molecular Formula:
C21H21NO
Molecular Weight:
303.3975
IUPAC Name:
1-phenyl-4-(1,3,3-trimethylindol-2-ylidene)but-2-en-1-one
InChI:
InChI=1S/C21H21NO/c1-21(2)17-12-7-8-13-18(17)22(3)20(21)15-9-14-19(23)16-10-5-4-6-11-16/h4-15H,1-3H3
InChI Key:
FWAPKZOTGYVZSA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C=CC=C1N(C)c2c(C1(C)C)cccc2
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.162g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.405g/mol
Monoisotopic Mass:
303.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.1
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