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pent-3-ynoic acid

pent-3-ynoic acid

CAS: 36781-65-4

Formula: C5H6O2

SMILES: CC#CCC(O)=O

IUPAC: pent-3-ynoic acid

InChI: InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h4H2,1H3,(H,6,7)

Composition: C (61.22%), H (6.17%), O (32.62%)

Molar Mass: 98.101

Atom Count: 13

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 98.036779433
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NIZKVZYBUGUDTI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 25.83
Topological Polar Surface Area 37.3
Polarizability 9.4
Ring Count 0
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 36781-65-4 $171.35-$2,290.80$171.35$228.85$343.85$572.70$2,290.80
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