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70703-47-8 | Octadecanoic acid,12-(acetyloxy)-, 2-methoxyethyl ester
CAS No: 70703-47-8 Catalog No: AG005GU6 MDL No:
Product Description
Catalog Number:
AG005GU6
Chemical Name:
Octadecanoic acid,12-(acetyloxy)-, 2-methoxyethyl ester
CAS Number:
70703-47-8
Molecular Formula:
C23H44O5
Molecular Weight:
400.5925
IUPAC Name:
2-methoxyethyl 12-acetyloxyoctadecanoate
InChI:
InChI=1S/C23H44O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h22H,4-20H2,1-3H3
InChI Key:
QVEPPTMINGAUIA-UHFFFAOYSA-N
SMILES:
CCCCCCC(OC(=O)C)CCCCCCCCCCC(=O)OCCOC
EC Number:
274-788-1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.319g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.6g/mol
Monoisotopic Mass:
400.319g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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