Cas no 62529-65-1 (2-Butenoyl chloride, 2-methyl-, (Z)-)
62529-65-1 structure
Product Name:2-Butenoyl chloride, 2-methyl-, (Z)-
CAS No:62529-65-1
MF:C5H7ClO
MW:118.561480760574
CID:441428
PubChem ID:10866317
Update Time:2025-04-19
2-Butenoyl chloride, 2-methyl-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoyl chloride, 2-methyl-, (Z)-
- 2-Butenoyl chloride, 2-Methyl-, (2Z)-
- 62529-65-1
- (Z)-2-methyl-but-2-enoyl chloride
- TUNLYEHIVPWOHK-ARJAWSKDSA-N
- SCHEMBL11093548
- angeloyl chloride
- (Z)-2-methylbut-2-enoyl chloride
-
- Inchi： 1S/C5H7ClO/c1-3-4(2)5(6)7/h3H,1-2H3/b4-3-
- InChI Key： TUNLYEHIVPWOHK-ARJAWSKDSA-N
- SMILES： ClC(/C(/C)=C\C)=O
Computed Properties
- Exact Mass: 118.01861
- Monoisotopic Mass: 118.0185425g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 105
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Butenoyl chloride, 2-methyl-, (Z)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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