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85163-63-9 | 1-Propanesulfonic acid, 3-(1-naphthalenyloxy)-
CAS No: 85163-63-9 Catalog No: AG004QP1 MDL No:
Product Description
Catalog Number:
AG004QP1
Chemical Name:
1-Propanesulfonic acid, 3-(1-naphthalenyloxy)-
CAS Number:
85163-63-9
Molecular Formula:
C13H14O4S
Molecular Weight:
266.3129
IUPAC Name:
3-naphthalen-1-yloxypropane-1-sulfonic acid
InChI:
InChI=1S/C13H14O4S/c14-18(15,16)10-4-9-17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,14,15,16)
InChI Key:
BPSNYKMWWRVYLN-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCCOc1cccc2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.311g/mol
Monoisotopic Mass:
266.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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