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139601-55-1

139601-55-1 | Cyclohexanemethanol, 2-[(acetyloxy)methoxy]-, 1-acetate

CAS No: 139601-55-1 Catalog No: AG001BCV MDL No:

Product Description

Catalog Number:
AG001BCV
Chemical Name:
Cyclohexanemethanol, 2-[(acetyloxy)methoxy]-, 1-acetate
CAS Number:
139601-55-1
Molecular Formula:
C12H20O5
Molecular Weight:
244.2842
IUPAC Name:
acetic acid;[2-(hydroxymethyl)cyclohexyl]oxymethyl acetate
InChI:
InChI=1S/C10H18O4.C2H4O2/c1-8(12)13-7-14-10-5-3-2-4-9(10)6-11;1-2(3)4/h9-11H,2-7H2,1H3;1H3,(H,3,4)
InChI Key:
UIWXPUZJIDLJNO-UHFFFAOYSA-N
SMILES:
CC(=O)OCOC1CCCCC1COC(=O)C

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.302g/mol
Monoisotopic Mass:
262.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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