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Product details

名称

对甲苯乙酸

别名

4-甲基苯乙酸

英文别名

英文名称

p-Tolylacetic acid

货号

T100785-100g

包装规格

100g

浓度

≥99%

运输条件

常规运输

CAS号

622-47-9

分子式

C9H10O2

分子量

150.17 g/mol

Beilstein号

2043528

EC号

210-738-7

MDL号

MFCD00004353

PubChem编号

248474

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)O

IIUPAC Name

2-(4-methylphenyl)acetic acid

INCHI

1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChi Key

GXXXUZIRGXYDFP-UHFFFAOYSA-N

Smiles

CC1=CC=C(C=C1)CC(=O)O

PubChem CID

248474

PubChem SID

488189009

溶解性

可溶于甲醇

熔点

88-92°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

150.068 Da

单同位素质量Monoisotopic Mass

150.068 Da

拓扑极表面积Topological Polar Surface Area

37.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

134

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.9

密度

1.127

沸点

265-267°C

Reaxy-Rn

2043528

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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