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101396-13-8 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,3-bis(1-methylethyl) ester
CAS No: 101396-13-8 Catalog No: AG0004E9 MDL No:
Product Description
Catalog Number:
AG0004E9
Chemical Name:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,3-bis(1-methylethyl) ester
CAS Number:
101396-13-8
Molecular Formula:
C12H19O7-
Molecular Weight:
275.2751
IUPAC Name:
2-hydroxy-4-oxo-2-(2-oxo-2-propan-2-yloxyethyl)-4-propan-2-yloxybutanoate
InChI:
InChI=1S/C12H20O7/c1-7(2)18-9(13)5-12(17,11(15)16)6-10(14)19-8(3)4/h7-8,17H,5-6H2,1-4H3,(H,15,16)/p-1
InChI Key:
MHUXGBAKULUKLC-UHFFFAOYSA-M
SMILES:
CC(OC(=O)CC(C(=O)[O-])(CC(=O)OC(C)C)O)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.113g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.277g/mol
Monoisotopic Mass:
275.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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