Cas no 31012-29-0 (Benz[a]anthracene-7-methanol,12-methyl-, 7-benzoate)
![Benz[a]anthracene-7-methanol,12-methyl-, 7-benzoate structure](https://ossimg.kuujia.com/scimg/31500/31012-29-0x500.png)
31012-29-0 structure
Product Name:Benz[a]anthracene-7-methanol,12-methyl-, 7-benzoate
CAS No:31012-29-0
MF:C27H20O2
MW:376.446507453918
CID:314616
PubChem ID:3034467
Update Time:2025-04-19
Benz[a]anthracene-7-methanol,12-methyl-, 7-benzoate Chemical and Physical Properties
Names and Identifiers
-
- Benz[a]anthracene-7-methanol,12-methyl-, 7-benzoate
- (12-methylbenzo[a]anthracen-7-yl)methyl benzoate
- Benz(a)anthracene-7-methanol, 12-methyl-, benzoate
- BRN 2173314
- 31012-29-0
- DTXSID20184992
- 7-Benzoyloxymethyl-12-methylbenz(a)anthracene
- 12-Methylbenz(a)anthracene-7-methanol benzoate (ester)
-
- Inchi： 1S/C27H20O2/c1-18-21-12-7-8-14-23(21)25(17-29-27(28)20-10-3-2-4-11-20)24-16-15-19-9-5-6-13-22(19)26(18)24/h2-16H,17H2,1H3
- InChI Key： MXZZITVTYIZHJN-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CC1C2C=CC=CC=2C(C)=C2C3C=CC=CC=3C=CC2=1
Computed Properties
- Exact Mass: 376.1464
- Monoisotopic Mass: 376.14633
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 565
- 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: 6.8
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 1.0792 (rough estimate)
- Boiling Point: 465°C (rough estimate)
- Flash Point: 251.7°C
- Refractive Index: 1.4875 (estimate)
- PSA: 26.3
Benz[a]anthracene-7-methanol,12-methyl-, 7-benzoate Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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
31012-29-0 (Benz[a]anthracene-7-methanol,12-methyl-, 7-benzoate) Related Products
- 120-51-4(Benzyl benzoate)
- 2459-25-8(Methyl 2-naphthoate)
- 636-53-3(Diethyl isophthalate)
- 120-33-2(Ethyl 3-methylbenzoate)
- 81-30-1(1,4,5,8-Naphthalenetetracarboxylic dianhydride)
- 94-08-6(Ethyl p-toluate)
- 636-09-9(Diethyl terephthalate)
- 840-65-3(Dimethyl naphthalene-2,6-dicarboxylate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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