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7786-47-2 | Butanoic acid,3-methyl-, nonyl ester
CAS No: 7786-47-2 Catalog No: AG0056WW MDL No:
Product Description
Catalog Number:
AG0056WW
Chemical Name:
Butanoic acid,3-methyl-, nonyl ester
CAS Number:
7786-47-2
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
nonyl 3-methylbutanoate
InChI:
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3
InChI Key:
JHKZVDVMXZGMOX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)CC(C)C
EC Number:
232-098-8
UNII:
SXP0UF66RQ
FEMA Number:
2791
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:
5.2
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