Home Other Building Blocks sodium 2-(3,4,5-trihydroxybenzoyloxy)acetate

sodium 2-(3,4,5-trihydroxybenzoyloxy)acetate

CAS No.:
1909320-07-5
Catalog Number:
AG01C57Y
Molecular Formula:
C9H7NaO7
Molecular Weight:
250.1375
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Product Description
Catalog Number:
AG01C57Y
Chemical Name:
sodium 2-(3,4,5-trihydroxybenzoyloxy)acetate
CAS Number:
1909320-07-5
Molecular Formula:
C9H7NaO7
Molecular Weight:
250.1375
MDL Number:
MFCD29907064
IUPAC Name:
sodium;2-(3,4,5-trihydroxybenzoyl)oxyacetate
InChI:
InChI=1S/C9H8O7.Na/c10-5-1-4(2-6(11)8(5)14)9(15)16-3-7(12)13;/h1-2,10-11,14H,3H2,(H,12,13);/q;+1/p-1
InChI Key:
RWYKOCBLMVTRSK-UHFFFAOYSA-M
SMILES:
O=C(c1cc(O)c(c(c1)O)O)OCC(=O)[O-].[Na+]
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.009g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
250.138g/mol
Monoisotopic Mass:
250.009g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties