Cas no 113476-33-8 (2-Pentalenecarboxylicacid, 1,3a,4,5,6,6a-hexahydro-)
113476-33-8 structure
Product Name:2-Pentalenecarboxylicacid, 1,3a,4,5,6,6a-hexahydro-
CAS No:113476-33-8
MF:C9H12O2
MW:152.190382957458
CID:130191
PubChem ID:57357360
Update Time:2025-04-19
2-Pentalenecarboxylicacid, 1,3a,4,5,6,6a-hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentalenecarboxylicacid, 1,3a,4,5,6,6a-hexahydro-
- 1,3a,4,5,6,6a-hexahydropentalene-2-carboxylic acid
- 2-Pentalenecarboxylicacid,1,3a,4,5,6,6a-hexahydro-(6CI)
- DTXSID60723647
- 113476-33-8
-
- Inchi： 1S/C9H12O2/c10-9(11)8-4-6-2-1-3-7(6)5-8/h4,6-7H,1-3,5H2,(H,10,11)
- InChI Key： VTIATTGHJMIKFB-UHFFFAOYSA-N
- SMILES： OC(C1=CC2CCCC2C1)=O
Computed Properties
- Exact Mass: 152.083729621g/mol
- Monoisotopic Mass: 152.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 37.3?2
2-Pentalenecarboxylicacid, 1,3a,4,5,6,6a-hexahydro- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
113476-33-8 (2-Pentalenecarboxylicacid, 1,3a,4,5,6,6a-hexahydro-) Related Products
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- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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