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13372-80-0 | Benzaldehyde,4-(1-methylethyl)-, oxime
CAS No: 13372-80-0 Catalog No: AG007MYV MDL No:
Product Description
Catalog Number:
AG007MYV
Chemical Name:
Benzaldehyde,4-(1-methylethyl)-, oxime
CAS Number:
13372-80-0
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
(NE)-N-[(4-propan-2-ylphenyl)methylidene]hydroxylamine
InChI:
InChI=1S/C10H13NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3-8,12H,1-2H3/b11-7+
InChI Key:
NVKXBDITZDURNJ-YRNVUSSQSA-N
SMILES:
CC(c1ccc(cc1)C=NO)C
EC Number:
236-448-0
NSC Number:
69956
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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