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1799434-52-8 | Carbamic acid, N-[2-[3-(2-oxazolyl)phenyl]ethyl]-, methyl ester
CAS No: 1799434-52-8 Catalog No: AG0021HC MDL No:
Product Description
Catalog Number:
AG0021HC
Chemical Name:
Carbamic acid, N-[2-[3-(2-oxazolyl)phenyl]ethyl]-, methyl ester
CAS Number:
1799434-52-8
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
methyl N-[2-[3-(1,3-oxazol-2-yl)phenyl]ethyl]carbamate
InChI:
InChI=1S/C13H14N2O3/c1-17-13(16)15-6-5-10-3-2-4-11(9-10)12-14-7-8-18-12/h2-4,7-9H,5-6H2,1H3,(H,15,16)
InChI Key:
IAVPMHHYIANPTF-UHFFFAOYSA-N
SMILES:
COC(=O)NCCc1cccc(c1)c1ncco1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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