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81053-14-7 | Methyl 2-(1-hydroxy-4-oxocyclohexyl)acetate
CAS No: 81053-14-7 Catalog No: AG005035 MDL No:MFCD19441037
Product Description
Catalog Number:
AG005035
Chemical Name:
Methyl 2-(1-hydroxy-4-oxocyclohexyl)acetate
CAS Number:
81053-14-7
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD19441037
IUPAC Name:
methyl 2-(1-hydroxy-4-oxocyclohexyl)acetate
InChI:
InChI=1S/C9H14O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h12H,2-6H2,1H3
InChI Key:
UYLWRBIQRPNVNZ-UHFFFAOYSA-N
SMILES:
COC(=O)CC1(O)CCC(=O)CC1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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