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10236-10-9 | Hexanoic acid, 5-methyl-, ethyl ester
CAS No: 10236-10-9 Catalog No: AG00079E MDL No:
Product Description
Catalog Number:
AG00079E
Chemical Name:
Hexanoic acid, 5-methyl-, ethyl ester
CAS Number:
10236-10-9
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
ethyl 5-methylhexanoate
InChI:
InChI=1S/C9H18O2/c1-4-11-9(10)7-5-6-8(2)3/h8H,4-7H2,1-3H3
InChI Key:
VUOGVGBBHBPFGM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(C)C
NSC Number:
33948
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
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