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81520-97-0 | 8-Octadecene-1,3,4-triol, 2-amino-
CAS No: 81520-97-0 Catalog No: AG005K7U MDL No:
Product Description
Catalog Number:
AG005K7U
Chemical Name:
8-Octadecene-1,3,4-triol, 2-amino-
CAS Number:
81520-97-0
Molecular Formula:
C18H37NO3
Molecular Weight:
315.4913
IUPAC Name:
2-aminooctadec-8-ene-1,3,4-triol
InChI:
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3
InChI Key:
CQKNELOTFUSOTP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC=CCCCC(C(C(CO)N)O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.277g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
315.498g/mol
Monoisotopic Mass:
315.277g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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