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771-90-4,MFCD00004493
Catalog No.:AA00G2G7

771-90-4 | METHYL MANDELATE

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Technical Information
Catalog Number:
AA00G2G7
Chemical Name:
METHYL MANDELATE
CAS Number:
771-90-4
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00004493
SMILES:
COC(=O)C(C1=CC=CC=C1)O
NSC Number:
6539
Properties
Computed Properties
 
Complexity:
150  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.2  

Literature
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SDS
Tags:771-90-4 Molecular Formula|771-90-4 MDL|771-90-4 SMILES|771-90-4 METHYL MANDELATE