一键配货
简介
3-(氯甲基)-2-羟基-5-甲基苯(甲)醛 95% 100mg
基本信息
查看详细信息中文名称
-
英文名称
-
中文别名
-
英文别名
-
CAS号
192819-68-4
分子式
-
分子量
-
更新日期
2026-07-06
技术文档
「暂无技术文档」
相关文章
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Structures
SMILES
CC1=CC(=C(C(=C1)C=O)O)CCl
2D Structure
https://labdr.oss-cn-shenzhen.aliyuncs.com/casimg/C1/192819-68-4.svg
3D Conformer
https://labdr.oss-cn-shenzhen.aliyuncs.com/mol3/1/192819-68-4.sdf
Title and Summary
Molecular Weight
184.62
Standard molecular formula
C9H9ClO2
Names and Identifiers
IUPAC Name
3-(chloromethyl)-2-hydroxy-5-methylbenzaldehyde
Other Identifiers
CAS
192819-68-4
PubChem CID
2754909
Computed Descriptors
Descriptor.InChI
1S/C9H9ClO2/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,5,12H,4H2,1H3
Descriptor.InChIKey
ODGOJSMSPQCKKQ-UHFFFAOYSA-N
Chemical and Physical Properties
Computed Properties
Property Table.XLogP
2.3
Property Table.Complexity
161
Property Table.Exact Mass
184.0291072
Property Table.Formal Charge
0
Property Table.Heavy Atom Count
12
Property Table.Monoisotopic Mass
184.0291072
Property Table.Isotope Atom Count
0
Property Table.Rotatable Bond Count
2
Property Table.Hydrogen Bond Donor Count
1
Property Table.Covalently-Bonded Unit Count
1
Property Table.Hydrogen Bond Acceptor Count
2
Property Table.Topological Polar Surface Area
37.3
Property Table.Defined Atom Stereocenter Count
0
Property Table.Defined Bond Stereocenter Count
0
Property Table.Undefined Atom Stereocenter Count
0
Property Table.Undefined Bond Stereocenter Count
0
