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70240-75-4 | BUTYL 9,10-DIHYDROXYOCTADECANOATE
CAS No: 70240-75-4 Catalog No: AG005KG6 MDL No:
Product Description
Catalog Number:
AG005KG6
Chemical Name:
BUTYL 9,10-DIHYDROXYOCTADECANOATE
CAS Number:
70240-75-4
Molecular Formula:
C22H44O4
Molecular Weight:
372.5824
IUPAC Name:
butyl 9,10-dihydroxyoctadecanoate
InChI:
InChI=1S/C22H44O4/c1-3-5-7-8-10-13-16-20(23)21(24)17-14-11-9-12-15-18-22(25)26-19-6-4-2/h20-21,23-24H,3-19H2,1-2H3
InChI Key:
TWYGFFMOKNIFGX-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(CCCCCCCC(=O)OCCCC)O)O
NSC Number:
80521
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.324g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.59g/mol
Monoisotopic Mass:
372.324g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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