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138847-31-1 | 8-Octadecene-1,3-diol, 2-amino-
CAS No: 138847-31-1 Catalog No: AG0019PC MDL No:
Product Description
Catalog Number:
AG0019PC
Chemical Name:
8-Octadecene-1,3-diol, 2-amino-
CAS Number:
138847-31-1
Molecular Formula:
C18H37NO2
Molecular Weight:
299.4919
IUPAC Name:
2-aminooctadec-8-ene-1,3-diol
InChI:
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h10-11,17-18,20-21H,2-9,12-16,19H2,1H3
InChI Key:
QFTGJVWBKDHFND-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC=CCCCCC(C(CO)N)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.282g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.499g/mol
Monoisotopic Mass:
299.282g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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