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4803-74-1 | 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)-
CAS No: 4803-74-1 Catalog No: AG00IMLW MDL No:MFCD08458868
Product Description
Catalog Number:
AG00IMLW
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)-
CAS Number:
4803-74-1
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD08458868
IUPAC Name:
(2E)-5,6-dimethoxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
InChI:
InChI=1S/C17H15NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h3-7,9-10H,8H2,1-2H3/b13-7+
InChI Key:
SUVQWDLUAIFZKM-NTUHNPAUSA-N
SMILES:
COc1cc2c(cc1OC)C/C(=C\c1ccncc1)/C2=O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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