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tricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-ol

tricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-ol

CAS: 1027338-06-2

Formula: C16H12O

SMILES: OC1CC2=CC=CC=C2C#CC2=CC=CC=C12

IUPAC: tricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-ol

InChI: InChI=1/C16H12O/c17-16-11-14-7-2-1-5-12(14)9-10-13-6-3-4-8-15(13)16/h1-8,16-17H,11H2

Composition: C (87.25%), H (5.49%), O (7.26%)

Molar Mass: 220.271

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 220.088815006
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey VEKJQXKBHZVGBK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.69
Topological Polar Surface Area 20.23
Polarizability 26.02
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 1027338-06-2 $353.81-$3,855.60$353.81$597.62$1,542.24$3,855.60
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