Cas no 4475-28-9 ( )
structure
Product Name:
CAS No:4475-28-9
MF:C14H24O4
MW:256.337965011597
CID:929644
PubChem ID:235119
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-undec-10-enylpropanedioic acid
- 2-(10-Undecenyl)malonic acid
- AC1L5TOA
- AC1Q5ROL
- AR-1L7924
- CTK4I8446
- NSC36179
- undec-10-en-1-ylpropanedioic acid
- undec-10-enyl-malonic acid
- Undec-10-enyl-malonsaeure
- 2-(10-UNDECEN-1-YL)PROPANEDIOIC ACID
- SCHEMBL5369364
- 4475-28-9
- NSC 36179
- NSC-36179
- PROPANEDIOIC ACID, 2-(10-UNDECEN-1-YL)-
- DTXSID40196294
- UNII-FRS3LFU5QQ
- FRS3LFU5QQ
-
-
- Inchi： 1S/C14H24O4/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18/h2,12H,1,3-11H2,(H,15,16)(H,17,18)
- InChI Key： BFPYGAODWSTTOP-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)CCCCCCCCCC=C)=O
Computed Properties
- Exact Mass: 256.16752
- Monoisotopic Mass: 256.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 247
- 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: 4.8
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.049
- Boiling Point: 412.6°C at 760 mmHg
- Flash Point: 217.5°C
- Refractive Index: 1.482
- PSA: 74.6
- LogP: 3.46870
Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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