Cas no 7499-99-2 ( )
structure
Product Name:
CAS No:7499-99-2
MF:C10H12O5
MW:212.199283599854
CID:980911
PubChem ID:343665
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,4-dihydroxy-3,6-dimethoxy)phenylethanone; 1-(2,4-dihydroxy-3,6-dimethoxy-phenyl)-ethanone; NSC400079; KB-212616; AC1L7YUE; 2,4-Dihydroxy-3,6-dimethoxy-acetophenon; 2,4-dihydroxy-3,6-dimethoxyacetophenone; 1-(2,4-Dihydroxy-3,6-dimethoxy-phenyl)-aethanon; 4,6-dihydroxy-2,5-dimethoxyacetophenone;
- 7499-99-2
- 1-(2,4-dihydroxy-3,6-dimethoxyphenyl)ethanone
- NSC-400079
- DTXSID70321956
- NSC400079
- MFCD24713466
- 2 inverted exclamation mark ,4 inverted exclamation mark -Dihydroxy-3 inverted exclamation mark ,6 inverted exclamation mark -dimethoxyacetophenone
- SY386538
-
-
- Inchi： 1S/C10H12O5/c1-5(11)8-7(14-2)4-6(12)10(15-3)9(8)13/h4,12-13H,1-3H3
- InChI Key： MEQLOJXZIIKHOB-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=C(C=1C(C)=O)O)OC)O
Computed Properties
- Exact Mass: 212.06846
- Monoisotopic Mass: 212.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 230
- 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: 76?2
Experimental Properties
- PSA: 75.99
Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
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
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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