Cas no 149492-32-0 (BENZENEACETIC ACID,3-(HYDROXYMETHYL)-)
149492-32-0 structure
Product Name:BENZENEACETIC ACID,3-(HYDROXYMETHYL)-
CAS No:149492-32-0
MF:C9H10O3
MW:166.173902988434
CID:1011369
PubChem ID:14980952
Update Time:2025-04-20
BENZENEACETIC ACID,3-(HYDROXYMETHYL)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENEACETIC ACID,3-(HYDROXYMETHYL)-
- 3-hydroxymethylphenylacetic acid
- (3-hydroxymethyl-phenyl)-acetic acid
- DB-294350
- 149492-32-0
- [3-(hydroxymethyl)phenyl]acetic acid
- QRKZQQRBRLOCFH-UHFFFAOYSA-N
- starbld0018224
- 2-(3-(Hydroxymethyl)phenyl)acetic acid
- SCHEMBL1401775
-
- Inchi： 1S/C9H10O3/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12)
- InChI Key： QRKZQQRBRLOCFH-UHFFFAOYSA-N
- SMILES： OCC1=CC=CC(CC(=O)O)=C1
Computed Properties
- Exact Mass: 166.062994177g/mol
- Monoisotopic Mass: 166.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 156
- 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: 0.7
- Topological Polar Surface Area: 57.5?2
BENZENEACETIC ACID,3-(HYDROXYMETHYL)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
149492-32-0 (BENZENEACETIC ACID,3-(HYDROXYMETHYL)-) Related Products
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