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261767-10-6 | 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-, ethyl ester
CAS No: 261767-10-6 Catalog No: AG002S2Z MDL No:MFCD12090273
Product Description
Catalog Number:
AG002S2Z
Chemical Name:
1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-, ethyl ester
CAS Number:
261767-10-6
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD12090273
IUPAC Name:
ethyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
InChI:
InChI=1S/C11H12O4/c1-2-13-11(12)8-4-3-5-9-10(8)15-7-6-14-9/h3-5H,2,6-7H2,1H3
InChI Key:
BAWCYPPHRYLPKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1OCCO2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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