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89241-34-9 | 1H-Indole-2-carboxaldehyde, 3-(hydroxymethyl)-1-(phenylsulfonyl)-
CAS No: 89241-34-9 Catalog No: AG00449B MDL No:
Product Description
Catalog Number:
AG00449B
Chemical Name:
1H-Indole-2-carboxaldehyde, 3-(hydroxymethyl)-1-(phenylsulfonyl)-
CAS Number:
89241-34-9
Molecular Formula:
C16H13NO4S
Molecular Weight:
315.3437
IUPAC Name:
1-(benzenesulfonyl)-3-(hydroxymethyl)indole-2-carbaldehyde
InChI:
InChI=1S/C16H13NO4S/c18-10-14-13-8-4-5-9-15(13)17(16(14)11-19)22(20,21)12-6-2-1-3-7-12/h1-9,11,18H,10H2
InChI Key:
QTANNNCTXPYUCD-UHFFFAOYSA-N
SMILES:
OCc1c2ccccc2n(c1C=O)S(=O)(=O)c1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.343g/mol
Monoisotopic Mass:
315.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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