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85212-85-7 | methyl 2-[2-formyl-5-(methoxycarbonylmethoxy)phenoxy]acetate
CAS No: 85212-85-7 Catalog No: AG004QB4 MDL No:
Product Description
Catalog Number:
AG004QB4
Chemical Name:
methyl 2-[2-formyl-5-(methoxycarbonylmethoxy)phenoxy]acetate
CAS Number:
85212-85-7
Molecular Formula:
C13H14O7
Molecular Weight:
282.2461
IUPAC Name:
methyl 2-[4-formyl-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
InChI:
InChI=1S/C13H14O7/c1-17-12(15)7-19-10-4-3-9(6-14)11(5-10)20-8-13(16)18-2/h3-6H,7-8H2,1-2H3
InChI Key:
IJZBVUYDAXAUDY-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(c(c1)OCC(=O)OC)C=O
NSC Number:
511360
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.248g/mol
Monoisotopic Mass:
282.074g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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