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Sodium methylparaben

CAS No.:
5026-62-0
Catalog Number:
AG00357N
Molecular Formula:
C8H7NaO3
Molecular Weight:
174.1292
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$33
- +
5g
95%
In Stock USA
United States
$47
- +
25g
95%
In Stock USA
United States
$87
- +
100g
95%
In Stock USA
United States
$158
- +
500g
95%
In Stock USA
United States
$366
- +
Product Description
Catalog Number:
AG00357N
Chemical Name:
Sodium methylparaben
CAS Number:
5026-62-0
Molecular Formula:
C8H7NaO3
Molecular Weight:
174.1292
MDL Number:
MFCD00016470
IUPAC Name:
sodium;4-methoxycarbonylphenolate
InChI:
InChI=1S/C8H8O3.Na/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1
InChI Key:
PESXGULMKCKJCC-UHFFFAOYSA-M
SMILES:
COC(=O)c1ccc(cc1)[O-].[Na+]
UNII:
CR6K9C2NHK
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.131g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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Properties