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名称

3-苯氧基丙酸

英文别名

3-Phenoxypropionic acid | 3-phenoxy-propionic acid | AB00261 | NSC13425 | .beta.-Phenoxypropionic acid | 6,6'-Dimethylfulvene | STK891980 | 5-Formyl-2,4-dimethyl-3-pyrrolecarboxylic Acid Ethyl Ester | NSC15767 | AI3-20895 | AM83175 | InChI=1/C9H10O3/c10-9

英文名称

3-Phenoxypropionic acid

货号

P136846-1g

包装规格

浓度

≥98%

运输条件

常规运输

CAS号

7170-38-9

分子式

C9H10O3

分子量

166.18 g/mol

Beilstein号

6163

MDL号

MFCD00002769

PubChem编号

81596

Isomeric SMILES

C1=CC=C(C=C1)OCCC(=O)O

IIUPAC Name

3-phenoxypropanoic acid

INCHI

1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

InChi Key

BUSOTUQRURCMCM-UHFFFAOYSA-N

Smiles

C1=CC=C(C=C1)OCCC(=O)O

PubChem CID

81596

PubChem SID

488185985

熔点

96-99℃

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

166.063 Da

单同位素质量Monoisotopic Mass

166.063 Da

拓扑极表面积Topological Polar Surface Area

46.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

139.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.500

沸点

243-245℃

Reaxy-Rn

1638040

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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