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137987-76-9 | 2-Benzofurancarboxylic acid, 4-chloro-5-formyl-6,7-dihydro-3-methyl-, ethyl ester
CAS No: 137987-76-9 Catalog No: AG0017RT MDL No:MFCD00436543
Product Description
Catalog Number:
AG0017RT
Chemical Name:
2-Benzofurancarboxylic acid, 4-chloro-5-formyl-6,7-dihydro-3-methyl-, ethyl ester
CAS Number:
137987-76-9
Molecular Formula:
C13H13ClO4
Molecular Weight:
268.6929
MDL Number:
MFCD00436543
IUPAC Name:
ethyl 4-chloro-5-formyl-3-methyl-6,7-dihydro-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C13H13ClO4/c1-3-17-13(16)12-7(2)10-9(18-12)5-4-8(6-15)11(10)14/h6H,3-5H2,1-2H3
InChI Key:
GECMCNWALPGVMC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(c1C)C(=C(CC2)C=O)Cl
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.05g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.693g/mol
Monoisotopic Mass:
268.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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