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hept-2-ynoic acid

hept-2-ynoic acid

CAS: 1483-67-6

Formula: C7H10O2

SMILES: CCCCC#CC(O)=O

IUPAC: hept-2-ynoic acid

InChI: InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-4H2,1H3,(H,8,9)

Composition: C (66.65%), H (7.99%), O (25.36%)

Molar Mass: 126.155

Atom Count: 19

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 126.068079562
Formal Charge 0
FSP3 0.57
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UEERQXQKEJPYBR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.09
Topological Polar Surface Area 37.3
Polarizability 13.05
Ring Count 0
Rotatable Bond Count 4

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