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123658-17-3 | 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-
CAS No: 123658-17-3 Catalog No: AG000KXP MDL No:
Product Description
Catalog Number:
AG000KXP
Chemical Name:
1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-
CAS Number:
123658-17-3
Molecular Formula:
C17H14O5S
Molecular Weight:
330.3551
IUPAC Name:
4-(4-methylphenoxy)sulfonyl-3H-indene-1-carboxylic acid
InChI:
InChI=1S/C17H14O5S/c1-11-5-7-12(8-6-11)22-23(20,21)16-4-2-3-13-14(16)9-10-15(13)17(18)19/h2-8,10H,9H2,1H3,(H,18,19)
InChI Key:
VDFAVVGRKSTTHW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1CC=C2C(=O)O
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.056g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.354g/mol
Monoisotopic Mass:
330.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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