6-Methyl-4-Oxo-4H-Chromene-3-Carbaldehyde 6-甲基-4-氧代-4H-苯并吡喃-3-甲醛
CAS 42059-81-4 MFCD00138943
化学结构图
SMILES: CC1C=CC2OC=C(C=O)C(=O)C=2C=1
化学属性
| Mol. Formula | C11H8O3 |
|---|---|
| Mol. Weight | 188 |
| Melting Point | 172-173 |
| Density | 1.422 |
别名和识别编码
| Chemical Name | 6-Methyl-4-Oxo-4H-Chromene-3-Carbaldehyde |
|---|---|
| CAS Number | 42059-81-4 |
| Alfabeta Name | METHYLOXOCHROMENECARBALDEHYDE H6443------- |
| MDL Number | MFCD00138943 |
| Synonym | 3-甲酰基-6-甲基色酮 6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde |
| PubChem Substance ID | 253661463 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 2384789 |
| Chemical Name Translation | 6-甲基-4-氧代-4H-苯并吡喃-3-甲醛 |
| Reaxys-RN | 1073905 |
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资金保障
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分类
- {KO} Ketones
- {SNA} Aldehydes, Benzopyrans, Building Blocks, C10-C12, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Organic Building Blocks
- {KO} Aldehydes
- Aldehydes, Benzopyrans, Building Blocks, C10-C12, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Organic Building Blocks
- {KO} Dicarbonyls13
相关文献及参考
- FT-IR 2 (2), 2567:B
安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P302+P352+P332+P313+P362+P364
- P305+P351+P338+P337+P313
- H315 Causes skin irritation 会刺激皮肤
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
0
LogP
1
