![[6,6]-Phenyl-C61-butyric Acid Dodecyl Ester](https://resource.bocsci.com/structure/571177-69-0.gif)
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[6,6]-Phenyl C71 butyric acid methyl ester
Catalog Number
609771-63-3
CAS
609771-63-3
Synonyms
Methyl [6,6]-Phenyl-C71-butyrate,[70]PCBM
Molecular Weight
1030.99
Molecular Formula
C82H14O2
Product Information
Purity
98%
MDL
MFCD09842750
Physical State
Solid
Appearance
Black powder to crystal
Storage
Keep in dark place.
Solubility
soluble in Chlorobenzene
Safety Information
Signal Word
Warning
Precautionary Statement
P261-P305+P351+P338
Hazard Statements
H315-H319-H335
TSCA
No
WGK Germany
3
Canonical SMILES
COC(=O)CCCC2(c1ccccc1)C34c5c6ccc7c8cc9Cc%10cc%11cc%12Cc%13cc%14c%15ccc6c3c%15c%16c%17c%18c%19c(c(c57)c8c%20c9c%10c%21c%11c%22c%12c%13c(c%14%16)c%18c%22c%21c%19%20)C24%17
InChI
InChI=1S/C82H14O2/c1-84-11(83)8-5-9-80(10-6-3-2-4-7-10)81-76-68-60-50-40-33-24-18-12-13-15-17-16-14(12)20-27-22(16)31-32-23(17)28-21(15)30-26(19(13)24)35-41(33)51(50)61-55-45(35)37(30)47-39(28)49-43(32)53-52-42(31)48-38(27)46-36-29(20)25(18)34(40)44(36)54(60)64-58(46)66-56(48)62(52)70-71-63(53)57(49)67-59(47)65(55)73(77(81)69(61)68)75(67)79(71)82(80,81)78(70)74(66)72(64)76/h2-4,6-7H,5,8-9H2,1H3
InChI Key
AZSFNTBGCTUQFX-UHFFFAOYSA-N
