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113771-58-7,MFCD20527542
Catalog No.:AA0009JR
113771-58-7 | Methyl chroman-2-carboxylate
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100mg
95%
2 weeks  
$100.00   $70.00
- +
250mg
95%
2 weeks  
$139.00   $97.00
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1g
95%
2 weeks  
$300.00   $210.00
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5g
97%
2 weeks  
$796.00   $557.00
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Technical Information
Catalog Number:
AA0009JR
Chemical Name:
Methyl chroman-2-carboxylate
CAS Number:
113771-58-7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD20527542
IUPAC Name:
methyl 3,4-dihydro-2H-chromene-2-carboxylate
InChI:
InChI=1S/C11H12O3/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)14-10/h2-5,10H,6-7H2,1H3
InChI Key:
CLPFQFDVPGZONF-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCc2c(O1)cccc2
Properties
Computed Properties
 
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
Methyl chroman-2-carboxylate 
113771-58-7 
DTXSID80564554 
CLPFQFDVPGZONF-UHFFFAOYSA-N 
9092AC 
MFCD20527542 
Chroman-2-carboxylic acid methyl ester 
AS-35516 
Methyl 3,4-dihydro-2H-1-benzopyran-2-carboxylate 
C11H12O3 
N/A 
methyl chromane-2-carboxylate 
2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, methyl ester 
(R)-Methyl chroman-2-carboxylate 
(S)-Methyl chroman-2-carboxylate 
2-methoxycarbonylchroman 
ACMC-20mj03 
SCHEMBL4926783 
CTK0C8699 
Literature
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