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1-amino-3,6,9,12-tetraoxahexadecan-16-oic acid

1-amino-3,6,9,12-tetraoxahexadecan-16-oic acid

CAS: 144598-03-8

Formula: C12H25NO6

SMILES: NCCOCCOCCOCCOCCCC(O)=O

IUPAC: 1-amino-3,6,9,12-tetraoxahexadecan-16-oic acid

InChI: InChI=1S/C12H25NO6/c13-3-5-17-7-9-19-11-10-18-8-6-16-4-1-2-12(14)15/h1-11,13H2,(H,14,15)

Composition: C (51.60%), H (9.02%), N (5.01%), O (34.37%)

Molar Mass: 279.333

Atom Count: 44

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 279.168187529
Formal Charge 0
FSP3 0.92
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey FZYUSPZHUYZRPZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.63
Topological Polar Surface Area 100.24
Polarizability 27.75
Ring Count 0
Rotatable Bond Count 15

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