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Butyl 3-methylbutanoate

CAS No.:
109-19-3
Catalog Number:
AG003OM0
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG003OM0
Chemical Name:
Butyl 3-methylbutanoate
CAS Number:
109-19-3
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD00048775
IUPAC Name:
butyl 3-methylbutanoate
InChI:
InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
InChI Key:
AYWJSCLAAPJZEF-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CC(C)C
EC Number:
203-654-7
UNII:
4UX6V9QM2J
NSC Number:
6187
FEMA Number:
2218
UN Number:
1993
Properties
Complexity:
108  
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:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties