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1551-44-6 | Butanoic acid, cyclohexyl ester
CAS No: 1551-44-6 Catalog No: AG001NML MDL No:MFCD00046354
Product Description
Catalog Number:
AG001NML
Chemical Name:
Butanoic acid, cyclohexyl ester
CAS Number:
1551-44-6
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD00046354
IUPAC Name:
cyclohexyl butanoate
InChI:
InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChI Key:
VZHUBBUZNIULNM-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC1CCCCC1
EC Number:
216-290-9
UNII:
FHH53Z3I16
NSC Number:
53950
FEMA Number:
2351
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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