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122136-03-2 | Benzoic acid, 3-formyl-4-methoxy-, ethyl ester
CAS No: 122136-03-2 Catalog No: AG0016U1 MDL No:
Product Description
Catalog Number:
AG0016U1
Chemical Name:
Benzoic acid, 3-formyl-4-methoxy-, ethyl ester
CAS Number:
122136-03-2
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
ethyl 3-formyl-4-methoxybenzoate
InChI:
InChI=1S/C11H12O4/c1-3-15-11(13)8-4-5-10(14-2)9(6-8)7-12/h4-7H,3H2,1-2H3
InChI Key:
JCVZWEULABNSDR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)C=O)OC
Properties
Complexity:
227
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:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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