Cas no 83542-69-2 (Propyl paraben calcium salt)
Propyl paraben calcium salt structure
Product Name:Propyl paraben calcium salt
CAS No:83542-69-2
MF:C20H22CaO6
MW:398.463085651398
CID:708984
Update Time:2023-11-18
Propyl paraben calcium salt Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-hydroxy-, propyl ester, calcium salt (2:1)
- Propyl paraben calcium salt
- Propylparaben calcium
- 5120ZH21JA
- Benzoic acid, 4-hydroxy-, propyl ester, calcium salt
- Calcium propyl paraben
- Q27260847
- CID 86278221
-
- Inchi： 1S/2C10H12O3.Ca/c2*1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h2*3-6,11H,2,7H2,1H3;/q;;+2/p-2
- InChI Key： WOCSLYGVQTVYAB-UHFFFAOYSA-L
- SMILES： [Ca+2].O(C(C1C=CC(=CC=1)[O-])=O)CCC.O(C(C1C=CC(=CC=1)[O-])=O)CCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 160
- Topological Polar Surface Area: 98.7
Propyl paraben calcium salt Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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