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7493-68-7 | Allylcyclohexanevalerate
CAS No: 7493-68-7 Catalog No: AG003NQB MDL No:
Product Description
Catalog Number:
AG003NQB
Chemical Name:
Allylcyclohexanevalerate
CAS Number:
7493-68-7
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
prop-2-enyl 5-cyclohexylpentanoate
InChI:
InChI=1S/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2
InChI Key:
NDXGAVFJHHVIQN-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)CCCCC1CCCCC1
EC Number:
616-172-0
UNII:
BWA3BL8KX5
FEMA Number:
2027
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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