Cas no 55185-18-7 (Isophthalic acid)
Isophthalic acid structure
Product Name:Isophthalic acid
CAS No:55185-18-7
MF:C8H6O4
MW:166.130842685699
CID:2190026
PubChem ID:5461079
Update Time:2024-03-01
Isophthalic acid Chemical and Physical Properties
Names and Identifiers
-
- Isophthalic acid
- Benzene-1,3-dicarboxylic acid
- 1,3-Benzenedicarboxylic acid
- m-Phthalic acid
- m-Benzenedicarboxylic acid
- Acide isophtalique
- Kyselina isoftalova
- iso-phthalic acid
- Kyselina isoftalova [Czech]
- Acide isophtalique [French]
- Isophthalic acid, 99%
- meta-benzenedicarboxylic acid
- QQVIHTHCMHWDBS-UHFFFAOYSA-N
- X35216H9FJ
- DSSTox_CID_1485
- DSSTox_RID_76179
- DSSTox_GSID_21485
- WLN: QVR CVQ
-
- Inchi： 1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
- InChI Key： QQVIHTHCMHWDBS-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=C(C(=O)O)C=1)=O
- BRN： 1909332
Computed Properties
- Exact Mass: 164.01095860g/mol
- Monoisotopic Mass: 164.01095860g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 179
- 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: 1.7
- Topological Polar Surface Area: 74.6
Isophthalic acid Related Literature
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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
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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