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114077-42-8 | Benzeneacetic acid, 2-hydroxy-α-(methoxymethylene)-, methyl ester, (αE)-
CAS No: 114077-42-8 Catalog No: AG000AHA MDL No:
Product Description
Catalog Number:
AG000AHA
Chemical Name:
Benzeneacetic acid, 2-hydroxy-α-(methoxymethylene)-, methyl ester, (αE)-
CAS Number:
114077-42-8
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
methyl (E)-2-(2-hydroxyphenyl)-3-methoxyprop-2-enoate
InChI:
InChI=1S/C11H12O4/c1-14-7-9(11(13)15-2)8-5-3-4-6-10(8)12/h3-7,12H,1-2H3/b9-7+
InChI Key:
CUEDLSLTSIRGCF-VQHVLOKHSA-N
SMILES:
CO/C=C(\c1ccccc1O)/C(=O)OC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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