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72237-74-2 | 1H-Carbazol-1-one,2,3,4,9-tetrahydro-6-methoxy-4-methyl-2-[(1-methylethoxy)methylene]-
CAS No: 72237-74-2 Catalog No: AG005J3R MDL No:
Product Description
Catalog Number:
AG005J3R
Chemical Name:
1H-Carbazol-1-one,2,3,4,9-tetrahydro-6-methoxy-4-methyl-2-[(1-methylethoxy)methylene]-
CAS Number:
72237-74-2
Molecular Formula:
C18H21NO3
Molecular Weight:
299.3642
IUPAC Name:
(2E)-6-methoxy-4-methyl-2-(propan-2-yloxymethylidene)-4,9-dihydro-3H-carbazol-1-one
InChI:
InChI=1S/C18H21NO3/c1-10(2)22-9-12-7-11(3)16-14-8-13(21-4)5-6-15(14)19-17(16)18(12)20/h5-6,8-11,19H,7H2,1-4H3/b12-9+
InChI Key:
XWEMTAMPNJACMR-FMIVXFBMSA-N
SMILES:
COc1ccc2c(c1)c1C(C)CC(=COC(C)C)C(=O)c1[nH]2
EC Number:
276-504-1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
299.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.37g/mol
Monoisotopic Mass:
299.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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