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1257397-46-8 | Benzeneacetic acid, 4-formyl-3-hydroxy-α-methyl-, methyl ester
CAS No: 1257397-46-8 Catalog No: AG000OLK MDL No:
Product Description
Catalog Number:
AG000OLK
Chemical Name:
Benzeneacetic acid, 4-formyl-3-hydroxy-α-methyl-, methyl ester
CAS Number:
1257397-46-8
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
methyl 2-(4-formyl-3-hydroxyphenyl)propanoate
InChI:
InChI=1S/C11H12O4/c1-7(11(14)15-2)8-3-4-9(6-12)10(13)5-8/h3-7,13H,1-2H3
InChI Key:
FDWYLRZOWXTGQS-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(c(c1)O)C=O)C
Properties
Complexity:
239
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:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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