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918403-86-8

918403-86-8 | Cyclopentanone, 2,5-dihydroxy-2-methyl-, (2S,5R)-

CAS No: 918403-86-8 Catalog No: AG006G10 MDL No:

Product Description

Catalog Number:
AG006G10
Chemical Name:
Cyclopentanone, 2,5-dihydroxy-2-methyl-, (2S,5R)-
CAS Number:
918403-86-8
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
(2S,5R)-2,5-dihydroxy-2-methylcyclopentan-1-one
InChI:
InChI=1S/C6H10O3/c1-6(9)3-2-4(7)5(6)8/h4,7,9H,2-3H2,1H3/t4-,6+/m1/s1
InChI Key:
QLVGHVUJYKBZEP-XINAWCOVSA-N
SMILES:
O[C@@H]1CC[C@](C1=O)(C)O

Properties

Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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