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16203-90-0 | 1H-Indene-3-acetic acid, 1-[(4-chlorophenyl)methylene]-5-methoxy-2-methyl-
CAS No: 16203-90-0 Catalog No: AG001SNM MDL No:
Product Description
Catalog Number:
AG001SNM
Chemical Name:
1H-Indene-3-acetic acid, 1-[(4-chlorophenyl)methylene]-5-methoxy-2-methyl-
CAS Number:
16203-90-0
Molecular Formula:
C20H17ClO3
Molecular Weight:
340.8002
IUPAC Name:
2-[3-[(4-chlorophenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
InChI:
InChI=1S/C20H17ClO3/c1-12-17(9-13-3-5-14(21)6-4-13)16-8-7-15(24-2)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)
InChI Key:
CODOVFSHVROMLQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=C(C2=Cc1ccc(cc1)Cl)C)CC(=O)O
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.087g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.803g/mol
Monoisotopic Mass:
340.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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