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113771-58-7 | 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, methyl ester
CAS No: 113771-58-7 Catalog No: AG0009MJ MDL No:MFCD20527542
Product Description
Catalog Number:
AG0009MJ
Chemical Name:
2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, methyl ester
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
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
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