heptadeca-10,12-diynoic acid

heptadeca-10,12-diynoic acid

CAS: 28393-06-8

Formula: C17H26O2

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

IUPAC: heptadeca-10,12-diynoic acid

InChI: InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-4,9-16H2,1H3,(H,18,19)

Composition: C (77.82%), H (9.99%), O (12.19%)

Molar Mass: 262.393

Atom Count: 45

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	262.193280077
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CLTRJQSBWDSZHN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	80.41
Topological Polar Surface Area	37.3
Polarizability	30.36
Ring Count	0
Rotatable Bond Count	13

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