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114609-17-5 | 1,4-Benzenediacetic acid, 2,5-dimethyl-, 1,4-dimethyl ester
CAS No: 114609-17-5 Catalog No: AG000EU7 MDL No:
Product Description
Catalog Number:
AG000EU7
Chemical Name:
1,4-Benzenediacetic acid, 2,5-dimethyl-, 1,4-dimethyl ester
CAS Number:
114609-17-5
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dimethylphenyl]acetate
InChI:
InChI=1S/C14H18O4/c1-9-5-12(8-14(16)18-4)10(2)6-11(9)7-13(15)17-3/h5-6H,7-8H2,1-4H3
InChI Key:
DVILJBXRGGIODK-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(C)c(cc1C)CC(=O)OC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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