Cas no 119427-07-5 (16-Heptadecynoic acid,12-hydroxy-)
119427-07-5 structure
Product Name:16-Heptadecynoic acid,12-hydroxy-
CAS No:119427-07-5
MF:C17H30O3
MW:282.418305873871
CID:171960
PubChem ID:3082966
Update Time:2025-04-19
16-Heptadecynoic acid,12-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 16-Heptadecynoic acid,12-hydroxy-
- 12-hydroxy-16-heptadecynoic acid
- 12-Hhdya
- 12-hydroxyheptadec-16-ynoic acid
- 119427-07-5
- CHEMBL29370
- SCHEMBL7826048
- PD050845
- 16-Heptadecynoic acid, 12-hydroxy-
- DTXSID40922959
- 12(S)-hydroxy-16-Heptadecynoic Acid
- BDBM50047305
- 12-Hydroxy-heptadec-16-ynoic acid
-
- Inchi： 1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)
- InChI Key： HBFCVDJQUPEEIC-UHFFFAOYSA-N
- SMILES： OC(CCCC#C)CCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 282.2196
- Monoisotopic Mass: 282.219
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 277
- 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: 4.7
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 0.989
- Boiling Point: 432.8°Cat760mmHg
- Flash Point: 229.7°C
- Refractive Index: 1.484
- PSA: 57.53
16-Heptadecynoic acid,12-hydroxy- Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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