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158822-84-5 | 2(3H)-Benzoxazolone, 6-(phenylmethoxy)-
CAS No: 158822-84-5 Catalog No: AG001QW1 MDL No:MFCD07369766
Product Description
Catalog Number:
AG001QW1
Chemical Name:
2(3H)-Benzoxazolone, 6-(phenylmethoxy)-
CAS Number:
158822-84-5
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
MDL Number:
MFCD07369766
IUPAC Name:
6-phenylmethoxy-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H11NO3/c16-14-15-12-7-6-11(8-13(12)18-14)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)
InChI Key:
JVUPJESJQYCFOB-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(o1)cc(cc2)OCc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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