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307306-48-5 | Triacontanoic acid, 2,3-dihydroxypropyl ester
CAS No: 307306-48-5 Catalog No: AG003135 MDL No:
Product Description
Catalog Number:
AG003135
Chemical Name:
Triacontanoic acid, 2,3-dihydroxypropyl ester
CAS Number:
307306-48-5
Molecular Formula:
C33H66O4
Molecular Weight:
526.8747
IUPAC Name:
2,3-dihydroxypropyl triacontanoate
InChI:
InChI=1S/C33H66O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33(36)37-31-32(35)30-34/h32,34-35H,2-31H2,1H3
InChI Key:
MLGMWWAJQYZVDD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.496g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
526.887g/mol
Monoisotopic Mass:
526.496g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
13.9
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