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114590-68-0 | Ethyl (3-iso-propoxybenzoyl)acetate
CAS No: 114590-68-0 Catalog No: AG01FDPZ MDL No:
Product Description
Catalog Number:
AG01FDPZ
Chemical Name:
Ethyl (3-iso-propoxybenzoyl)acetate
CAS Number:
114590-68-0
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
ethyl 3-oxo-3-(3-propan-2-yloxyphenyl)propanoate
InChI:
InChI=1S/C14H18O4/c1-4-17-14(16)9-13(15)11-6-5-7-12(8-11)18-10(2)3/h5-8,10H,4,9H2,1-3H3
InChI Key:
RWGUAIQHQWLIDQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1cccc(c1)OC(C)C
Properties
Complexity:
286
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:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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