Cas no 61898-58-6 (3-Methyladipic acid)
3-Methyladipic acid structure
Product Name:3-Methyladipic acid
CAS No:61898-58-6
MF:C7H12O4
MW:160.167782783508
CID:2717980
PubChem ID:12292
Update Time:2025-04-21
3-Methyladipic acid Chemical and Physical Properties
Names and Identifiers
-
- EINECS 210-816-0
- 81177-02-8
- FM03125
- s6169
- D91380
- Hexanedioic acid, 3-methyl-
- Hexanedioic acid,3-methyl-
- NSC-22069
- AKOS017343089
- SY049068
- 3-methyl-hexanedioic acid
- 3-METHYLHEXANEDIOICACID
- DTXSID40863090
- 3-methyl adipic acid
- NSC22069
- DB-086691
- AKOS000119442
- SCHEMBL20804
- 3-METHYLHEXANEDIOIC ACID
- 3-methyl-adipic acid
- Q27136984
- 3-Methyladipic acid, 99%
- 3058-01-3
- beta-Methyl-adipic acid
- M0719
- Z104477714
- GEO-01740
- 61898-58-6
- PD101961
- (+)-3-Methyladipic acid
- NS00014727
- CS-0059490
- HY-113277
- MFCD00002804
- EN300-20312
- 3-METHYLADIPIC ACID
- LMFA01170095
- InChI=1/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11
- NSC 22069
- CHEBI:68503
- SB46018
- EINECS 221-293-3
- 3-Methyladipic acid
-
- Inchi： 1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
- InChI Key： SYEOWUNSTUDKGM-UHFFFAOYSA-N
- SMILES： OC(CC(C)CCC(=O)O)=O
Computed Properties
- Exact Mass: 160.07355886Da
- Monoisotopic Mass: 160.07355886Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 153
- 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: 0.4
- Topological Polar Surface Area: 74.6?2
3-Methyladipic acid Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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