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1193697-61-8

1193697-61-8 | Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-, 4-oxide, (11bS)-

CAS No: 1193697-61-8 Catalog No: AG000IN7 MDL No:MFCD22200734

Product Description

Catalog Number:
AG000IN7
Chemical Name:
Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-, 4-oxide, (11bS)-
CAS Number:
1193697-61-8
Molecular Formula:
C20H21O4P
Molecular Weight:
356.3521
MDL Number:
MFCD22200734
IUPAC Name:
13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaene 13-oxide
InChI:
InChI=1S/C20H21O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h9-12H,1-8H2,(H,21,22)
InChI Key:
HCTOYKLUBVCMFH-UHFFFAOYSA-N
SMILES:
OP1(=O)Oc2ccc3c(c2c2c(O1)ccc1c2CCCC1)CCCC3

Properties

Complexity:
508  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.118g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
356.358g/mol
Monoisotopic Mass:
356.118g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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