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104029-81-4 | Carbamic acid,dimethyl-, 2-benzoxazolylphenylmethyl ester (9CI)
CAS No: 104029-81-4 Catalog No: AG007WSN MDL No:
Product Description
Catalog Number:
AG007WSN
Chemical Name:
Carbamic acid,dimethyl-, 2-benzoxazolylphenylmethyl ester (9CI)
CAS Number:
104029-81-4
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
IUPAC Name:
[2-(1,3-benzoxazol-2-yl)phenyl]methyl N,N-dimethylcarbamate
InChI:
InChI=1S/C17H16N2O3/c1-19(2)17(20)21-11-12-7-3-4-8-13(12)16-18-14-9-5-6-10-15(14)22-16/h3-10H,11H2,1-2H3
InChI Key:
WUHPELBCJSPOLO-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)OCc1ccccc1c1nc2c(o1)cccc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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