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140451-38-3 | Propanoic acid, 2-(2-formylphenoxy)-, methyl ester
CAS No: 140451-38-3 Catalog No: AG001CH6 MDL No:MFCD07782033
Product Description
Catalog Number:
AG001CH6
Chemical Name:
Propanoic acid, 2-(2-formylphenoxy)-, methyl ester
CAS Number:
140451-38-3
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD07782033
IUPAC Name:
methyl 2-(3-formylphenoxy)propanoate
InChI:
InChI=1S/C11H12O4/c1-8(11(13)14-2)15-10-5-3-4-9(6-10)7-12/h3-8H,1-2H3
InChI Key:
XYICAICUHXILNM-UHFFFAOYSA-N
SMILES:
COC(=O)C(Oc1ccccc1C=O)C
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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