Basic information
- CAS
13161-99-4- Standard SMILES
O=C(O)C=CC(=O)Nc1cccc(NC(=O)C=CC(=O)O)c1- InChIKey
SKDIMRRKRVTENP-UHFFFAOYSA-N- Molecular formula
- C14H12N2O6
- Average molar mass
- 304.25 g/mol
- Monoisotopic mass
- 304.06953611
Overview
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Names & identifiers
- Preferred name
- (2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid
- IUPAC
- 4-[3-(3-carboxyprop-2-enoylamino)anilino]-4-oxobut-2-enoic acid
- English name
- (Z)-4,4'-(1,3-phenylenediimino)bis[4-oxoisocrotonic] acid
- Molecular formula
- C14H12N2O6
- Molecular weight
- 304.25
Names & synonyms
13161-99-4CBDivE_001989SCHEMBL441805DTXSID901382424(2E)-4-(3-{[(2E)-3-carboxy-2-propenoyl]amino}anilino)-4-oxo-2-butenoic acid4,4a(2)-(1,3-Phenylenediimino)bis[4-oxo-2-butenoic acid]4-[3-(3-carboxyprop-2-enoylamino)anilino]-4-oxo-but-2-enoic acidEinecs 236-101-3N,N'-(m-Phenylene)dimaleamidic acid(Z)-4,4'-(1,3-phenylenediimino)bis[4-oxoisocrotonic] acid4,4'-(1,3-Phenylene)bisiminobis[(Z)-4-oxo-2-butenoic acid](Z)-4,4'-(1,3-phenylenebis(azanediyl))bis[4-oxobutanoic acid
Show more names
(2Z,2'Z)-4,4'-(1,3-Phenylenediimino)bis[4-oxo-2-butenoic acid]2-Butenoic acid, 4,4'-(1,3-phenylenediimino)bis[4-oxo-, (2Z,2'Z)-Z914873，(Z)-4，4'-(1，3-Phenylenediimino)Bis(4-Oxoisocrotonic) Acid(2Z,2'Z)-4,4'-(1,3-Phenylenebis(azanediyl))bis(4-oxobut-2-enoic acid)(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Boiling point
- 702.9 · 702.9±60.0 °C(Predicted)
- Density
- 1.535 · 1.535±0.06 g/cm3(Predicted)
- pka
- 2.45 · 2.45±0.25(Predicted)
Chemistry & industry
Suppliers17 total
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Changzhou Helios Biomedical Science and Technology Co.,LTD.+8618961213068;+8618961100976 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
南京麦瑞米生物技术有限公司025-87782433 18021532344 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
苏州孚伊洛生物科技有限公司0512-87819718 18912655635 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
湖南秉航新材料有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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