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5458-59-3 | N-CAPRYLIC ACID ISOPROPYL ESTER
CAS No: 5458-59-3 Catalog No: AG003SVD MDL No:MFCD00059256
Product Description
Catalog Number:
AG003SVD
Chemical Name:
N-CAPRYLIC ACID ISOPROPYL ESTER
CAS Number:
5458-59-3
MDL Number:
MFCD00059256
IUPAC Name:
propan-2-yl octanoate
InChI:
InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3
InChI Key:
WCGIIHOFOFCKSM-UHFFFAOYSA-N
EC Number:
226-721-2
UNII:
GHK5I7U9ZD
NSC Number:
23737
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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