Cas no 64129-91-5 (Methyl hydrogen 2-dodecenylsuccinate)
64129-91-5 structure
Product Name:Methyl hydrogen 2-dodecenylsuccinate
CAS No:64129-91-5
MF:C17H30O4
MW:298.417706012726
CID:505520
PubChem ID:115818
Update Time:2025-04-19
Methyl hydrogen 2-dodecenylsuccinate Chemical and Physical Properties
Names and Identifiers
-
- Methyl hydrogen 2-dodecenylsuccinate
- (10E)-3-(methoxycarbonyl)pentadec-10-enoic acid
- Butanedioic acid, 2-(dodecen-1-yl)-, monomethyl ester
- Butanedioic acid, dodecenyl-, monomethyl ester
- Dodecenylsuccinic anhydride methyl acid ester
- DTXSID601015006
- 64129-91-5
-
- Inchi： 1S/C17H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(14-16(18)19)17(20)21-2/h6-7,15H,3-5,8-14H2,1-2H3,(H,18,19)
- InChI Key： VSPIKCBVTKGIEO-UHFFFAOYSA-N
- SMILES： O(C)C(C(CC(=O)O)CCCCCCC=CCCCC)=O
Computed Properties
- Exact Mass: 298.2145
- Monoisotopic Mass: 298.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 14
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 5
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
Methyl hydrogen 2-dodecenylsuccinate Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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