Cas no 16358-92-2 (Benzoicacid, 4-(1-oxopropoxy)-)
16358-92-2 structure
Product Name:Benzoicacid, 4-(1-oxopropoxy)-
CAS No:16358-92-2
MF:C10H10O4
MW:194.184003353119
CID:236636
PubChem ID:285887
Update Time:2025-04-19
Benzoicacid, 4-(1-oxopropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 4-(1-oxopropoxy)-
- 4-propanoyloxybenzoic acid
- 4-(propanoyloxy)benzoic acid
- 4-(propionyloxy)benzoic acid
- 4-carboxyphenyl propionate
- 4-Propionyloxy-benzoesaeure
- AC1L640O
- AC1Q612K
- CTK0I4092
- NSC143536
- SureCN5690655
- 16358-92-2
- NSC-143536
- AKOS005359467
- p-propionoxybenzoic acid
- SCHEMBL5690655
- E80480
- DTXSID70301450
-
- Inchi： 1S/C10H10O4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h3-6H,2H2,1H3,(H,12,13)
- InChI Key： MNPYETDBTVUTDQ-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 194.0579
- Monoisotopic Mass: 194.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 216
- 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: 1.4
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
Benzoicacid, 4-(1-oxopropoxy)- Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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