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13937-08-1 | Propanedioic acid, 2-hydroxy-, 1,3-diethyl ester
CAS No: 13937-08-1 Catalog No: AG001AW2 MDL No:MFCD04038932
Product Description
Catalog Number:
AG001AW2
Chemical Name:
Propanedioic acid, 2-hydroxy-, 1,3-diethyl ester
CAS Number:
13937-08-1
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
MDL Number:
MFCD04038932
IUPAC Name:
diethyl 2-hydroxypropanedioate
InChI:
InChI=1S/C7H12O5/c1-3-11-6(9)5(8)7(10)12-4-2/h5,8H,3-4H2,1-2H3
InChI Key:
VXZQTXSCMRPKMH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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