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名称
3-异丙基苯酚
分子类型
小分子
别名
间异丙基苯酚
英文别名
D87686 | Tox21_301558 | 3-Isopropylphenol | 3-isopropyl-phenol | UNII-ERD00478GH | 1219805-35-2 | 4-06-00-03214 (Beilstein Handbook Reference) | BDBM248167 | EN300-21143 | 3-iso-Propylphenol-d12 | Carvacrol derivative, 10 | Z104492878 | ISOPROPYLPHENOL, M
英文名称
3-Isopropylphenol
货号
I136677-100g
包装规格
100g
浓度
≥98%(GC)
储存温度
避光
运输条件
常规运输
敏感性
对光敏感
CAS号
618-45-1
分子式
C9H12O
分子量
136.19 g/mol
Beilstein号
6505
MDL号
MFCD00002301
PubChem编号
12059
Isomeric SMILES
CC(C)C1=CC(=CC=C1)O
IIUPAC Name
3-propan-2-ylphenol
INCHI
1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
InChi Key
VLJSLTNSFSOYQR-UHFFFAOYSA-N
Smiles
CC(C)C1=CC(=CC=C1)O
溶解性
Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Very Slightly)
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
1
可旋转键计数Rotatable Bond Count
1
精确质量Exact Mass
136.089 Da
单同位素质量Monoisotopic Mass
136.089 Da
拓扑极表面积Topological Polar Surface Area
20.200 Ų
重原子数Heavy Atom Count
10
形式电荷Formal Charge
0
复杂度Complexity
98.9
同位素原子数Isotope Atom Count
0
共价键合单元计数Covalently-Bonded Unit Count
1
XLogP3
2.7
Reaxy-Rn
2040880
Safety
「No Dangerous Attributes」
Related
「No upstream and downstream information yet」
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Research chemical 100g; ≥98%; GC

Research chemical 100g; ≥98%; GC; supplied for laboratory research, analysis, inspection, and scientific procurement use; specifications: 100g; ≥98%; GC.

item number:I136677-100g
Product model:100g
level: 100g; ≥98%; GC
Lead Time:30days
sold 738 Items
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100g

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