Cas no 16313-37-4 (3-Pentenoic acid, 3-methyl-)
3-Pentenoic acid, 3-methyl- structure
Product Name:3-Pentenoic acid, 3-methyl-
CAS No:16313-37-4
MF:C6H10O2
MW:114.142402172089
CID:1344256
Update Time:2024-08-17
3-Pentenoic acid, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentenoic acid, 3-methyl-
- 3-Methyl-pent-3-en-carbonsaeure
-
- Inchi： 1S/C6H10O2/c1-3-5(2)4-6(7)8/h3H,4H2,1-2H3,(H,7,8)/b5-3-
- InChI Key： OGVROELYPSGUQB-HYXAFXHYSA-N
- SMILES： C/C=C(\CC(=O)O)/C
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.4
- Tautomer Count: nothing
- Surface Charge: 0
Experimental Properties
- Density: 0.97845 g/cm3(Temp: 23.2 °C)
- Melting Point: 35 °C
- Boiling Point: 199 °C
- pka: 4.40±0.10(Predicted)
3-Pentenoic acid, 3-methyl- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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