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15378-09-3 | Dimethyl 2-(4-methoxybenzyl)malonate
CAS No: 15378-09-3 Catalog No: AG003PKY MDL No:MFCD08436113
Product Description
Catalog Number:
AG003PKY
Chemical Name:
Dimethyl 2-(4-methoxybenzyl)malonate
CAS Number:
15378-09-3
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD08436113
IUPAC Name:
dimethyl 2-[(4-methoxyphenyl)methyl]propanedioate
InChI:
InChI=1S/C13H16O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-7,11H,8H2,1-3H3
InChI Key:
GXDFOJRQIDXKIH-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)Cc1ccc(cc1)OC
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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