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841258-16-0 | Acetic acid, [4-[(1E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]-, ethyl ester
CAS No: 841258-16-0 Catalog No: AG004PLP MDL No:
Product Description
Catalog Number:
AG004PLP
Chemical Name:
Acetic acid, [4-[(1E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]-, ethyl ester
CAS Number:
841258-16-0
Molecular Formula:
C19H18N2O3
Molecular Weight:
322.3578
IUPAC Name:
ethyl 2-[4-[2-(1H-indazol-3-yl)ethenyl]phenoxy]acetate
InChI:
InChI=1S/C19H18N2O3/c1-2-23-19(22)13-24-15-10-7-14(8-11-15)9-12-18-16-5-3-4-6-17(16)20-21-18/h3-12H,2,13H2,1H3,(H,20,21)
InChI Key:
BDWBPQMQMDMCND-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(cc1)/C=C/c1n[nH]c2c1cccc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.364g/mol
Monoisotopic Mass:
322.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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