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101931-23-1

101931-23-1 | 2-Naphthalenemethanol, 2-(hydrogen sulfate), sodium salt (1:1)

CAS No: 101931-23-1 Catalog No: AG0005Z2 MDL No:

Product Description

Catalog Number:
AG0005Z2
Chemical Name:
2-Naphthalenemethanol, 2-(hydrogen sulfate), sodium salt (1:1)
CAS Number:
101931-23-1
Molecular Formula:
C11H10NaO4S
Molecular Weight:
261.2495
IUPAC Name:
sodium;naphthalen-2-ylmethyl sulfate
InChI:
InChI=1S/C11H10O4S.Na/c12-16(13,14)15-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2,(H,12,13,14);/q;+1/p-1
InChI Key:
FPVHWSGWJBBBGA-UHFFFAOYSA-M
SMILES:
OS(=O)(=O)OCc1ccc2c(c1)cccc2.[Na]

Properties

Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.012g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.239g/mol
Monoisotopic Mass:
260.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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