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23158-06-7 | 1,3-Benzodioxole-4-carboxylic acid, ethyl ester
CAS No: 23158-06-7 Catalog No: AG002MEK MDL No:MFCD06204345
Product Description
Catalog Number:
AG002MEK
Chemical Name:
1,3-Benzodioxole-4-carboxylic acid, ethyl ester
CAS Number:
23158-06-7
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD06204345
IUPAC Name:
ethyl 1,3-benzodioxole-4-carboxylate
InChI:
InChI=1S/C10H10O4/c1-2-12-10(11)7-4-3-5-8-9(7)14-6-13-8/h3-5H,2,6H2,1H3
InChI Key:
TYQKHCZKVCIXAJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1OCO2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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