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27834-99-7 | Benzenepropanoic acid, 3-methoxy-β-oxo-, ethyl ester
CAS No: 27834-99-7 Catalog No: AG002UW1 MDL No:MFCD00086704
Product Description
Catalog Number:
AG002UW1
Chemical Name:
Benzenepropanoic acid, 3-methoxy-β-oxo-, ethyl ester
CAS Number:
27834-99-7
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00086704
IUPAC Name:
ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
InChI:
InChI=1S/C12H14O4/c1-3-16-12(14)8-11(13)9-5-4-6-10(7-9)15-2/h4-7H,3,8H2,1-2H3
InChI Key:
FDPPVAYPZOORBP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1cccc(c1)OC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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