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155877-84-2 | Benzenepropanoic acid, 4-(methoxycarbonyl)-β-oxo-, ethyl ester
CAS No: 155877-84-2 Catalog No: AG001OAP MDL No:
Product Description
Catalog Number:
AG001OAP
Chemical Name:
Benzenepropanoic acid, 4-(methoxycarbonyl)-β-oxo-, ethyl ester
CAS Number:
155877-84-2
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
IUPAC Name:
methyl 4-(3-ethoxy-3-oxopropanoyl)benzoate
InChI:
InChI=1S/C13H14O5/c1-3-18-12(15)8-11(14)9-4-6-10(7-5-9)13(16)17-2/h4-7H,3,8H2,1-2H3
InChI Key:
GFDCYWYWNSTMDX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(cc1)C(=O)OC
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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