Home Carboxys methyl 3,4-dihydro-1H-2-benzopyran-3-carboxylate

methyl 3,4-dihydro-1H-2-benzopyran-3-carboxylate

CAS No.:
219874-06-3
Catalog Number:
AG01B2AK
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
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Product Description
Catalog Number:
AG01B2AK
Chemical Name:
methyl 3,4-dihydro-1H-2-benzopyran-3-carboxylate
CAS Number:
219874-06-3
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
methyl 3,4-dihydro-1H-isochromene-3-carboxylate
InChI:
InChI=1S/C11H12O3/c1-13-11(12)10-6-8-4-2-3-5-9(8)7-14-10/h2-5,10H,6-7H2,1H3
InChI Key:
IUKJDSZBRPJUGP-UHFFFAOYSA-N
SMILES:
COC(=O)C1OCc2c(C1)cccc2
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:
1.6  
Properties