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648908-76-3 | Benzoic acid, 4-[2-(2-benzoxazolyl)-2-hydroxyethyl]-, methyl ester
CAS No: 648908-76-3 Catalog No: AG006RC0 MDL No:
Product Description
Catalog Number:
AG006RC0
Chemical Name:
Benzoic acid, 4-[2-(2-benzoxazolyl)-2-hydroxyethyl]-, methyl ester
CAS Number:
648908-76-3
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
IUPAC Name:
methyl 4-[2-(1,3-benzoxazol-2-yl)-2-hydroxyethyl]benzoate
InChI:
InChI=1S/C17H15NO4/c1-21-17(20)12-8-6-11(7-9-12)10-14(19)16-18-13-4-2-3-5-15(13)22-16/h2-9,14,19H,10H2,1H3
InChI Key:
KFCPLROFYPEYSV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CC(c1nc2c(o1)cccc2)O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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