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23598-65-4

23598-65-4 | Benzoic acid, 4-[2-oxo-5-[(2-propyn-1-yloxy)methyl]-3-oxazolidinyl]-, ethyl ester

CAS No: 23598-65-4 Catalog No: AG002NUC MDL No:

Product Description

Catalog Number:
AG002NUC
Chemical Name:
Benzoic acid, 4-[2-oxo-5-[(2-propyn-1-yloxy)methyl]-3-oxazolidinyl]-, ethyl ester
CAS Number:
23598-65-4
Molecular Formula:
C16H17NO5
Molecular Weight:
303.3099
IUPAC Name:
ethyl 4-[2-oxo-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]benzoate
InChI:
InChI=1S/C16H17NO5/c1-3-9-20-11-14-10-17(16(19)22-14)13-7-5-12(6-8-13)15(18)21-4-2/h1,5-8,14H,4,9-11H2,2H3
InChI Key:
IFIDAWHXNBSEON-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N1CC(OC1=O)COCC#C

Properties

Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.111g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.314g/mol
Monoisotopic Mass:
303.111g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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