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26163-61-1 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-methyl ester
CAS No: 26163-61-1 Catalog No: AG002RXU MDL No:
Product Description
Catalog Number:
AG002RXU
Chemical Name:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-methyl ester
CAS Number:
26163-61-1
Molecular Formula:
C7H8O7--
Molecular Weight:
204.1342
IUPAC Name:
2-hydroxy-2-(2-methoxy-2-oxoethyl)butanedioate
InChI:
InChI=1S/C7H10O7/c1-14-5(10)3-7(13,6(11)12)2-4(8)9/h13H,2-3H2,1H3,(H,8,9)(H,11,12)/p-2
InChI Key:
YUTUUOJFXIMELV-UHFFFAOYSA-L
SMILES:
COC(=O)CC(C(=O)[O-])(CC(=O)[O-])O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.027g/mol
Formal Charge:
-2
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.134g/mol
Monoisotopic Mass:
204.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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