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76280-92-7 | methyl (1R)-1-hydroxy-4-methoxy-2-oxo-cyclopent-3-ene-1-carboxylate
CAS No: 76280-92-7 Catalog No: AG005EIR MDL No:
Product Description
Catalog Number:
AG005EIR
Chemical Name:
methyl (1R)-1-hydroxy-4-methoxy-2-oxo-cyclopent-3-ene-1-carboxylate
CAS Number:
76280-92-7
Molecular Formula:
C8H10O5
Molecular Weight:
186.1620
IUPAC Name:
methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
InChI:
InChI=1S/C8H10O5/c1-12-5-3-6(9)8(11,4-5)7(10)13-2/h3,11H,4H2,1-2H3/t8-/m1/s1
InChI Key:
YGCFLXLGPRNGTJ-MRVPVSSYSA-N
SMILES:
COC1=CC(=O)[C@@](C1)(O)C(=O)OC
NSC Number:
343255
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.163g/mol
Monoisotopic Mass:
186.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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