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10-phenoxy-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4(20),5,7,12,14,16(19)-hexaene

10-phenoxy-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4(20),5,7,12,14,16(19)-hexaene

CAS: 656233-53-3

Formula: C23H19O3P

SMILES: C1CC23CCC4=C2C(OP(OC2=CC=CC=C2)OC2=CC=CC1=C32)=CC=C4

IUPAC: 10-phenoxy-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4(20),5,7,12,14,16(19)-hexaene

InChI: InChI=1S/C23H19O3P/c1-2-8-18(9-3-1)24-27-25-19-10-4-6-16-12-14-23(21(16)19)15-13-17-7-5-11-20(26-27)22(17)23/h1-11H,12-15H2

Composition: C (73.79%), H (5.12%), O (12.82%), P (8.27%)

Molar Mass: 374.376

Atom Count: 46

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 374.10718147
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JVANYVSBBJFGMW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 116.98
Topological Polar Surface Area 27.69
Polarizability 41.03
Ring Count 6
Rotatable Bond Count 2

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