Cas no 91606-67-6 (Carbonochloridic acid, 4-pentenyl ester)
91606-67-6 structure
Product Name:Carbonochloridic acid, 4-pentenyl ester
CAS No:91606-67-6
MF:C6H9ClO2
MW:148.587461233139
CID:2814155
PubChem ID:9989406
Update Time:2024-03-01
Carbonochloridic acid, 4-pentenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonochloridic acid, 4-pentenyl ester
- Pent-4-enyl Chloroformate
- 4-pentenyl chloroformate
- pent-4-enyl carbonochloridate
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- Inchi： 1S/C6H9ClO2/c1-2-3-4-5-9-6(7)8/h2H,1,3-5H2
- InChI Key： ZLPDIFGBMZDPPZ-UHFFFAOYSA-N
- SMILES： ClC(=O)OCCCC=C
Computed Properties
- Exact Mass: 148.0291072g/mol
- Monoisotopic Mass: 148.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 101
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3
Carbonochloridic acid, 4-pentenyl ester Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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