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1333319-61-1 | Pentonic acid, 2,5-anhydro-3-deoxy-, ethyl ester
CAS No: 1333319-61-1 Catalog No: AG0014OD MDL No:
Product Description
Catalog Number:
AG0014OD
Chemical Name:
Pentonic acid, 2,5-anhydro-3-deoxy-, ethyl ester
CAS Number:
1333319-61-1
IUPAC Name:
ethyl 4-hydroxyoxolane-2-carboxylate
InChI:
InChI=1S/C7H12O4/c1-2-10-7(9)6-3-5(8)4-11-6/h5-6,8H,2-4H2,1H3
InChI Key:
LJHQHOJRAMOKGV-UHFFFAOYSA-N
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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