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Home > Aldehydes > 141103-93-7
141103-93-7 | 2H-1,4-Benzoxazine-7-carboxaldehyde, 3,4-dihydro-4-methyl-
CAS No: 141103-93-7 Catalog No: AG001FWB MDL No:MFCD02681912
Product Description
Catalog Number:
AG001FWB
Chemical Name:
2H-1,4-Benzoxazine-7-carboxaldehyde, 3,4-dihydro-4-methyl-
CAS Number:
141103-93-7
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD02681912
IUPAC Name:
4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde
InChI:
InChI=1S/C10H11NO2/c1-11-4-5-13-10-6-8(7-12)2-3-9(10)11/h2-3,6-7H,4-5H2,1H3
InChI Key:
WJHBKMPLXRGBGM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)OCCN2C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. | Journal of medicinal chemistry 20110113 |
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