C-UNDECYLCALIX[4]RESORCINARENE MONOHYDRATE

CAS No.
112247-07-1
CCD No.
CCD00092064
Formula
C72 H112 O8 . H2 O
MolWeight
1123.68

Basic Information

Product Name: C-UNDECYLCALIX[4]RESORCINARENE MONOHYDRATE
CAS: 112247-07-1
English Synonyms: C-UNDECYLCALIX[4]RESORCINARENE MONOHYDRATE
MDL Number.: MFCD00192571
H bond acceptor: 8
H bond donor: 8
Smile: CCCCCCCCCCCC1c2cc(c(cc2O)O)C(c3cc(c(cc3O)O)C(c4cc(c(cc4O)O)C(c5cc1c(cc5O)O)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC.O
InChi: InChI=1S/C72H112O8.H2O/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-59(67(75)49-65(57)73)54(42-38-34-30-26-22-18-14-10-6-2)61-47-63(71(79)51-69(61)77)56(44-40-36-32-28-24-20-16-12-8-4)64-48-62(70(78)52-72(64)80)55(60-46-58(53)66(74)50-68(60)76)43-39-35-31-27-23-19-15-11-7-3;/h45-56,73-80H,5-44H2,1-4H3;1H2
InChiKey: InChIKey=JKLZYDGPENNXSJ-UHFFFAOYSA-N

Property

Melting Point: 293-295 DEG C(LIT)
Comments: UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319
Precautionary statements: P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/38
Safe Code: S:26-28-36
WGK Germany: 3

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