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7779-70-6 | Nonanoic acid, 3-methylbutyl ester
CAS No: 7779-70-6 Catalog No: AG01FOZA MDL No:
Product Description
Catalog Number:
AG01FOZA
Chemical Name:
Nonanoic acid, 3-methylbutyl ester
CAS Number:
7779-70-6
IUPAC Name:
3-methylbutyl nonanoate
InChI:
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
InChI Key:
SHGMLOSSRPFLKG-UHFFFAOYSA-N
EC Number:
231-933-3
UNII:
IY73YYK1JQ
FEMA Number:
2078
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.376g/mol
Monoisotopic Mass:
228.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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