Cas no 52101-60-7 ( )
structure
Product Name:
CAS No:52101-60-7
MF:C7H10O4
MW:158.151902675629
CID:936364
PubChem ID:18997710
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (Z)-2,3-dimethylpent-2-enedioic acid
- NSC159026
- SCHEMBL19132995
- NSC-177011
- 52101-60-7
- NSC177011
- NSC-159026
-
-
- Inchi： 1S/C7H10O4/c1-4(3-6(8)9)5(2)7(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)/b5-4-
- InChI Key： NAKQGXVVYBJTAK-PLNGDYQASA-N
- SMILES： OC(C/C(/C)=C(\C(=O)O)/C)=O
Computed Properties
- Exact Mass: 158.0579
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 215
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
- LogP: 0.88210
Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
52101-60-7 ( ) Related Products
- 585-84-2(cis-Aconitic Acid)
- 4023-65-8(trans-Aconitic acid)
- 31795-12-7(Triglochinic acid)
- 5746-90-7(3-Methylglutaconic Acid)
- 499-12-7(prop-1-ene-1,2,3-tricarboxylic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
