Cas no 17456-38-1 (2-Butenedioic-1,4-14C2acid, (2E)- (9CI))
17456-38-1 structure
Product Name:2-Butenedioic-1,4-14C2acid, (2E)- (9CI)
CAS No:17456-38-1
MF:C4H4O4
MW:120.057244300842
CID:122357
PubChem ID:102602080
Update Time:2025-04-18
2-Butenedioic-1,4-14C2acid, (2E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic-1,4-14C2acid, (2E)- (9CI)
- FUMARIC ACID, [1,4-14C]
- [1,4-14C]fumaric acid
- 4-butoxy-4-oxobut-2-enoic acid
- AC1NUDZP
- AC1Q2X7Q
- AC1Q5T8B
- but-2-enedioyl dichloride
- Butyl fumarate
- fumaric acid chloroanhydride
- Fumaric acid dichloride
- fumaric acid dichloroanhydride
- Fumaric acid monobutyl ester
- Fumaric acid, butyl ester
- fumaroyl chloride
- Fumarsaeure-(1,4-14C)
- Fumarsaeure-mono-n-butylester
- Mono
- Monobutyl fumarate
- mono-n-butyl maleate
- n-Butyl fumarate
- 17456-38-1
- Fumaric acid,[1,4-14c]
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- Inchi： 1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i3+2,4+2
- InChI Key： VZCYOOQTPOCHFL-QJQQQGIFSA-N
- SMILES： O[14C](/C=C/[14C](=O)O)=O
Computed Properties
- Exact Mass: 116.01092
- Monoisotopic Mass: 120.01744258g/mol
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 119
- 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: -0.3
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
2-Butenedioic-1,4-14C2acid, (2E)- (9CI) Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
17456-38-1 (2-Butenedioic-1,4-14C2acid, (2E)- (9CI)) Related Products
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