Name: Name:Methyl 4-phenylbutanoate
Brand: AABLOCKS
SKU: AA0029IW
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0029IW

Chemical Name: Methyl 4-phenylbutanoate

CAS Number: 2046-17-5

Molecular Formula: C11H14O2

Molecular Weight: 178.2277

MDL Number: MFCD00043756

SMILES: COC(=O)CCCc1ccccc1

NSC Number: 133895

FEMA Number: 2739

Properties

Complexity: 148

Covalently-Bonded Unit Count: 1

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 2

Rotatable Bond Count: 5

XLogP3: 2.8

Downstream Synthesis Route

2046-17-5

3360-41-6

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2046-17-5

529-34-0

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67-56-1

300-57-2

201230-82-2

methyl2-methyl-3-phenylpropionate

2046-17-5

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[4]Li,Haoquan;Dong,Kaiwu;Jiao,Haijun;Neumann,Helfried;Jackstell,Ralf;Beller,Matthias[NatureChemistry,2016,vol.8,#12,p.1159-1166]

67-56-1

120703-47-1

2046-17-5

[1]Yoshida;Matsunaga;Murata;Isoe[Tetrahedron,1991,vol.47,#4-5,p.615-624]

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3756-30-7

2046-17-5

151813-47-7

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2046-17-5 | Methyl 4-phenylbutanoate