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2-(octadec-9-enamido)propanoic acid

2-(octadec-9-enamido)propanoic acid

Formula: C21H39NO3

SMILES: CCCCCCCCC=CCCCCCCCC(=O)NC(C)C(O)=O

IUPAC: 2-(octadec-9-enamido)propanoic acid

InChI: InChI=1/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23)(H,24,25)

Composition: C (71.34%), H (11.12%), N (3.96%), O (13.58%)

Molar Mass: 353.547

Atom Count: 64

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 353.29299412
Formal Charge 0
FSP3 0.81
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CHQZBIVWDKADIA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 104.7
Topological Polar Surface Area 66.4
Polarizability 40.88
Ring Count 0
Rotatable Bond Count 17

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98% <10 Days C21H39NO3 Quote Only
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