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30673-36-0 | Decanoic acid, butyl ester
CAS No: 30673-36-0 Catalog No: AG0030RY MDL No:MFCD00053823
Product Description
Catalog Number:
AG0030RY
Chemical Name:
Decanoic acid, butyl ester
CAS Number:
30673-36-0
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
MDL Number:
MFCD00053823
IUPAC Name:
butyl decanoate
InChI:
InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3
InChI Key:
ZRNCNTSXSYXHOW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OCCCC
EC Number:
250-280-5
UNII:
64W3201R25
Properties
Complexity:
155
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:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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