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30306-93-5 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monoethyl ester
CAS No: 30306-93-5 Catalog No: AG002ZLS MDL No:
Product Description
Catalog Number:
AG002ZLS
Chemical Name:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monoethyl ester
CAS Number:
30306-93-5
Molecular Formula:
C8H10O7--
Molecular Weight:
218.1608
IUPAC Name:
2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid
InChI:
InChI=1S/C8H12O7/c1-2-15-6(11)4-8(14,7(12)13)3-5(9)10/h14H,2-4H2,1H3,(H,9,10)(H,12,13)
InChI Key:
OMPIYDSYGYKWSG-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C(CC(=O)[O-])(CC(=O)OCC)O
EC Number:
250-122-5
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
220.177g/mol
Monoisotopic Mass:
220.058g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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