Cas no 88484-23-5 (2-Propenoic acid, butoxyhydroxypropyl ester)
88484-23-5 structure
Product Name:2-Propenoic acid, butoxyhydroxypropyl ester
CAS No:88484-23-5
MF:C10H18O4
MW:202.247523784637
CID:631130
PubChem ID:57124734
Update Time:2025-04-19
2-Propenoic acid, butoxyhydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, butoxyhydroxypropyl ester
- (3-butoxy-3-hydroxypropyl) prop-2-enoate
- 88484-23-5
- SCHEMBL5369955
- DTXSID00720357
- 3-BUTOXY-3-HYDROXYPROPYL PROP-2-ENOATE
-
- Inchi： 1S/C10H18O4/c1-3-5-7-13-10(12)6-8-14-9(11)4-2/h4,10,12H,2-3,5-8H2,1H3
- InChI Key： ZCWYFTJABRHRRB-UHFFFAOYSA-N
- SMILES： O(CCCC)C(CCOC(C=C)=O)O
Computed Properties
- Exact Mass: 202.12050905g/mol
- Monoisotopic Mass: 202.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 55.8?2
2-Propenoic acid, butoxyhydroxypropyl ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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