Cas no 77391-08-3 ( )
structure
Product Name:
CAS No:77391-08-3
MF:C10H12O4
MW:196.199883460999
CID:983410
PubChem ID:351924
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-HYDROXYMETHYL-PHENOXY)-PROPIONIC ACID
- 2-[4-(hydroxymethyl)phenoxy]propanoic acid
- NSC523988
- AKOS022060570
- AKOS000104217
- SCHEMBL7993446
- NSC-523988
- 77391-08-3
- CDA39108
- 2-(4-(hydroxymethyl)phenoxy)propanoic acid
- 2-(4-Hydroxymethyl-phenoxy)propionic acid
- 2-(p-hydroxymethylphenoxy)-propionic acid
- DTXSID40326110
- JAGQEBFPJYEGCS-UHFFFAOYSA-N
- STL353501
-
-
- MDL： MFCD08445768
- Inchi： 1S/C10H12O4/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7,11H,6H2,1H3,(H,12,13)
- InChI Key： JAGQEBFPJYEGCS-UHFFFAOYSA-N
- SMILES： O(C1C=CC(CO)=CC=1)C(C(=O)O)C
Computed Properties
- Exact Mass: 196.07356
- Monoisotopic Mass: 196.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 185
- 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: 0.8
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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