Cas no 65649-07-2 (2,2'-(1-Methylhexahydropentalene-2,3a(1H)-diyl)diacetic acid)
65649-07-2 structure
Product Name:2,2'-(1-Methylhexahydropentalene-2,3a(1H)-diyl)diacetic acid
CAS No:65649-07-2
MF:C13H20O4
MW:240.295504570007
CID:2794304
Update Time:2023-08-07
2,2'-(1-Methylhexahydropentalene-2,3a(1H)-diyl)diacetic acid Chemical and Physical Properties
Names and Identifiers
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- 2,2'-(1-Methylhexahydropentalene-2,3a(1H)-diyl)diacetic acid
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- Inchi： 1S/C13H20O4/c1-8-9(5-11(14)15)6-13(7-12(16)17)4-2-3-10(8)13/h8-10H,2-7H2,1H3,(H,14,15)(H,16,17)
- InChI Key： YTYXVRVMMJNCSB-UHFFFAOYSA-N
- SMILES： OC(CC12CCCC1C(C)C(CC(=O)O)C2)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 338
- XLogP3: 2.4
- Topological Polar Surface Area: 74.6
2,2'-(1-Methylhexahydropentalene-2,3a(1H)-diyl)diacetic acid Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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