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88628-63-1 | 1H-Indene-1,2(3H)-dione, 5-(phenylmethoxy)-, 2-oxime
CAS No: 88628-63-1 Catalog No: AG004A3L MDL No:
Product Description
Catalog Number:
AG004A3L
Chemical Name:
1H-Indene-1,2(3H)-dione, 5-(phenylmethoxy)-, 2-oxime
CAS Number:
88628-63-1
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
2-hydroxyimino-5-phenylmethoxy-3H-inden-1-one
InChI:
InChI=1S/C16H13NO3/c18-16-14-7-6-13(8-12(14)9-15(16)17-19)20-10-11-4-2-1-3-5-11/h1-8,19H,9-10H2
InChI Key:
KZJKRSYWDDUEFO-UHFFFAOYSA-N
SMILES:
ON=C1Cc2c(C1=O)ccc(c2)OCc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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