Cas no 61186-96-7 (2,4-Hexadienedioic acid, monomethyl ester, (Z,Z)-)
61186-96-7 structure
Product Name:2,4-Hexadienedioic acid, monomethyl ester, (Z,Z)-
CAS No:61186-96-7
MF:C7H7O4
MW:155.128082513809
CID:489294
PubChem ID:21768183
Update Time:2025-04-19
2,4-Hexadienedioic acid, monomethyl ester, (Z,Z)- Chemical and Physical Properties
Names and Identifiers
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- 2,4-Hexadienedioic acid, monomethyl ester, (Z,Z)-
- (2Z,4Z)-5-methoxycarbonyl-2,4-pentadieonic acid
- 61186-96-7
-
- Inchi： 1S/C7H8O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H,1H3,(H,8,9)/p-1/b4-2+,5-3+
- InChI Key： CEKUJDXLIOIGRR-ZUVMSYQZSA-M
- SMILES： O(C)C(/C=C/C=C/C(=O)[O-])=O
Computed Properties
- Exact Mass: 155.03441
- Monoisotopic Mass: 155.03443370g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
2,4-Hexadienedioic acid, monomethyl ester, (Z,Z)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
61186-96-7 (2,4-Hexadienedioic acid, monomethyl ester, (Z,Z)-) Related Products
- 689-89-4(Sorbic Acid Methyl Ester)
- 1515-75-9(2,4-Pentadienoic acid,methyl ester)
- 1515-80-6(Methyl sorbate)
- 624-48-6(Dimethyl Maleate)
- 3052-50-4(Maleic Acid Monomethyl Ester (~90%))
- 23057-98-9(Dimethyl Fumarate-d2)
- 2756-87-8(Monomethyl fumarate)
- 624-49-7(Dimethyl fumarate)
- 2396-84-1(Sorbic Acid Ethyl Ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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