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591-68-4 | Butyl Valerate
CAS No: 591-68-4 Catalog No: AG0034KP MDL No:MFCD00015258
Product Description
Catalog Number:
AG0034KP
Chemical Name:
Butyl Valerate
CAS Number:
591-68-4
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD00015258
IUPAC Name:
butyl pentanoate
InChI:
InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChI Key:
OKJADYKTJJGKDX-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCCC
EC Number:
209-728-5
UNII:
F93Z6CCM06
FEMA Number:
2217
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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