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76325-19-4 | Cyclopentanecarboxylicacid, 1,2-dihydroxy-4-methoxy-, methyl ester
CAS No: 76325-19-4 Catalog No: AG0056EA MDL No:
Product Description
Catalog Number:
AG0056EA
Chemical Name:
Cyclopentanecarboxylicacid, 1,2-dihydroxy-4-methoxy-, methyl ester
CAS Number:
76325-19-4
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
IUPAC Name:
methyl 1,2-dihydroxy-4-methoxycyclopentane-1-carboxylate
InChI:
InChI=1S/C8H14O5/c1-12-5-3-6(9)8(11,4-5)7(10)13-2/h5-6,9,11H,3-4H2,1-2H3
InChI Key:
VQYPEAJELJYYML-UHFFFAOYSA-N
SMILES:
COC1CC(C(C1)(O)C(=O)OC)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.195g/mol
Monoisotopic Mass:
190.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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