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84969-24-4 | 2-(4-Formyl-3-methoxyphenoxy)acetic acid
CAS No: 84969-24-4 Catalog No: AG004QKM MDL No:MFCD00058468
Product Description
Catalog Number:
AG004QKM
Chemical Name:
2-(4-Formyl-3-methoxyphenoxy)acetic acid
CAS Number:
84969-24-4
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
MDL Number:
MFCD00058468
IUPAC Name:
2-(4-formyl-3-methoxyphenoxy)acetic acid
InChI:
InChI=1S/C10H10O5/c1-14-9-4-8(15-6-10(12)13)3-2-7(9)5-11/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
ORVNCMYBCMQQSV-UHFFFAOYSA-N
SMILES:
COc1cc(OCC(=O)O)ccc1C=O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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