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29070-18-6 | Propanoic acid, 3-(carboxymethoxy)-2-hydroxy-
CAS No: 29070-18-6 Catalog No: AG002X87 MDL No:
Product Description
Catalog Number:
AG002X87
Chemical Name:
Propanoic acid, 3-(carboxymethoxy)-2-hydroxy-
CAS Number:
29070-18-6
Molecular Formula:
C5H8O6
Molecular Weight:
164.1134
IUPAC Name:
3-(carboxymethoxy)-2-hydroxypropanoic acid
InChI:
InChI=1S/C5H8O6/c6-3(5(9)10)1-11-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChI Key:
ITJAQXXRUUJGFV-UHFFFAOYSA-N
SMILES:
OC(=O)COCC(C(=O)O)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
164.113g/mol
Monoisotopic Mass:
164.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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