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137590-28-4

137590-28-4 | 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, ethyl ester, (2R)-

CAS No: 137590-28-4 Catalog No: AG0013KV MDL No:

Product Description

Catalog Number:
AG0013KV
Chemical Name:
2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, ethyl ester, (2R)-
CAS Number:
137590-28-4
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
ethyl (2R)-3,4-dihydro-2H-chromene-2-carboxylate
InChI:
InChI=1S/C12H14O3/c1-2-14-12(13)11-8-7-9-5-3-4-6-10(9)15-11/h3-6,11H,2,7-8H2,1H3/t11-/m1/s1
InChI Key:
PSOZUQKKUGXCEN-LLVKDONJSA-N
SMILES:
CCOC(=O)[C@H]1CCc2c(O1)cccc2

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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