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144-16-1 | 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-
CAS No: 144-16-1 Catalog No: AG001IRF MDL No:
Product Description
Catalog Number:
AG001IRF
Chemical Name:
1,3-Dioxolane-4,4-diacetic acid, 5-oxo-
CAS Number:
144-16-1
Molecular Formula:
C7H8O7
Molecular Weight:
204.1342
IUPAC Name:
2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid
InChI:
InChI=1S/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11)
InChI Key:
PXPMCAKTYKAROX-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(OCOC1=O)CC(=O)O
EC Number:
205-618-6
UNII:
99197U4E9K
NSC Number:
68614
Properties
Complexity:
266
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:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.134g/mol
Monoisotopic Mass:
204.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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