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113681-11-1 | Cyclopentanone, 3-(hydroxymethyl)-, (3S)-
CAS No: 113681-11-1 Catalog No: AG00099Z MDL No:MFCD19441023
Product Description
Catalog Number:
AG00099Z
Chemical Name:
Cyclopentanone, 3-(hydroxymethyl)-, (3S)-
CAS Number:
113681-11-1
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD19441023
IUPAC Name:
(3S)-3-(hydroxymethyl)cyclopentan-1-one
InChI:
InChI=1S/C6H10O2/c7-4-5-1-2-6(8)3-5/h5,7H,1-4H2/t5-/m0/s1
InChI Key:
ZUDJASYMJNCZKF-YFKPBYRVSA-N
SMILES:
OC[C@H]1CCC(=O)C1
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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