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nonacosa-10,12-diynoic acid

nonacosa-10,12-diynoic acid

CAS: 66990-34-9

Formula: C29H50O2

SMILES: CCCCCCCCCCCCCCCCC#CC#CCCCCCCCCC(O)=O

IUPAC: nonacosa-10,12-diynoic acid

InChI: InChI=1S/C29H50O2/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(30)31/h2-16,21-28H2,1H3,(H,30,31)

Composition: C (80.87%), H (11.70%), O (7.43%)

Molar Mass: 430.717

Atom Count: 81

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 430.38108085
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LQESNAREESPTNY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 135.62
Topological Polar Surface Area 37.3
Polarizability 52.49
Ring Count 0
Rotatable Bond Count 25

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