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104029-94-9 | 2-Benzoxazolemethanol,5-methyl-a-(2-methylphenyl)-,methylcarbamate (ester) (9CI)
CAS No: 104029-94-9 Catalog No: AG007WSL MDL No:
Product Description
Catalog Number:
AG007WSL
Chemical Name:
2-Benzoxazolemethanol,5-methyl-a-(2-methylphenyl)-,methylcarbamate (ester) (9CI)
CAS Number:
104029-94-9
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
[(5-methyl-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl] N-methylcarbamate
InChI:
InChI=1S/C18H18N2O3/c1-11-8-9-15-14(10-11)20-17(22-15)16(23-18(21)19-3)13-7-5-4-6-12(13)2/h4-10,16H,1-3H3,(H,19,21)
InChI Key:
KXXHJXGDMFDGIW-UHFFFAOYSA-N
SMILES:
CNC(=O)OC(c1ccccc1C)c1nc2c(o1)ccc(c2)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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