Cas no 116047-36-0 (Benzo[m]benz[a]anthracene-14-carboxylicacid, 7-phenyl-, methyl ester)
![Benzo[m]benz[a]anthracene-14-carboxylicacid, 7-phenyl-, methyl ester structure](https://ossimg.kuujia.com/scimg/116500/116047-36-0x500.png)
116047-36-0 structure
Product Name:Benzo[m]benz[a]anthracene-14-carboxylicacid, 7-phenyl-, methyl ester
CAS No:116047-36-0
MF:C30H20O2
MW:412.478608131409
CID:149098
PubChem ID:3081100
Update Time:2025-04-19
Benzo[m]benz[a]anthracene-14-carboxylicacid, 7-phenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzo[m]benz[a]anthracene-14-carboxylicacid, 7-phenyl-, methyl ester
- methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate
- Me Pdbac
- methyl 13-phenylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene-2-carboxylate
- 116047-36-0
- Dibenz(a,j)anthrcene-14-carboxylic acid, 7-phenyl-, methyl ester
- DTXSID30151271
- Methyl 7-phenyldibenz(a,j)anthrcene-14-carboxylate
-
- Inchi： 1S/C30H20O2/c1-32-30(31)29-27-22-13-7-5-9-19(22)15-17-24(27)26(21-11-3-2-4-12-21)25-18-16-20-10-6-8-14-23(20)28(25)29/h2-18H,1H3
- InChI Key： HIZIXJUMHAVKFD-UHFFFAOYSA-N
- SMILES： O(C)C(C1C2C3C=CC=CC=3C=CC=2C(C2C=CC=CC=2)=C2C=CC3C=CC=CC=3C2=1)=O
Computed Properties
- Exact Mass: 412.14600
- Monoisotopic Mass: 412.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 3
- Complexity: 626
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.253
- Boiling Point: 619.3°Cat760mmHg
- Flash Point: 253.8°C
- Refractive Index: 1.749
- PSA: 26.30000
- LogP: 7.75300
Benzo[m]benz[a]anthracene-14-carboxylicacid, 7-phenyl-, methyl ester Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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