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isocyanatocycloheptane

isocyanatocycloheptane

CAS: 4747-68-6

Formula: C8H13NO

SMILES: O=C=NC1CCCCCC1

IUPAC: isocyanatocycloheptane

InChI: InChI=1S/C8H13NO/c10-7-9-8-5-3-1-2-4-6-8/h8H,1-6H2

Composition: C (69.03%), H (9.41%), N (10.06%), O (11.49%)

Molar Mass: 139.198

Atom Count: 23

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 139.099714043
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JCNLHDHXQVZQAM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.95
Topological Polar Surface Area 29.43
Polarizability 15.23
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 4747-68-6 $34.65-$356.40$34.65$45.54$51.48$105.93$193.05$356.40
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 4747-68-6 $312.57-$2,693.07$312.57$788.67$2,693.07
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