Cas no 7470-17-9 (9-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,7,8,8a,10a-dodecahydro-)
7470-17-9 structure
Product Name:9-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,7,8,8a,10a-dodecahydro-
CAS No:7470-17-9
MF:C15H22O2
MW:234.333984851837
CID:580998
PubChem ID:345095
Update Time:2025-04-19
9-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,7,8,8a,10a-dodecahydro- Chemical and Physical Properties
Names and Identifiers
-
- 9-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,7,8,8a,10a-dodecahydro-
- 1,2,3,4,4a,4b,5,6,7,8,8a,10a-dodecahydrophenanthrene-9-carboxylic acid
- AC1L821M
- AG-G-97223
- CTK2I0994
- NSC402377
- NSC-402377
- DTXSID20322933
- 7470-17-9
-
- Inchi： 1S/C15H22O2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h9-13H,1-8H2,(H,16,17)
- InChI Key： UYRVSIYBUBTAGZ-UHFFFAOYSA-N
- SMILES： OC(C1=CC2CCCCC2C2CCCCC21)=O
Computed Properties
- Exact Mass: 234.16206
- Monoisotopic Mass: 234.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 345
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.095
- Boiling Point: 381.8°C at 760 mmHg
- Flash Point: 179°C
- Refractive Index: 1.532
- PSA: 37.3
- LogP: 3.62380
9-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,7,8,8a,10a-dodecahydro- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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