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2044773-78-4 | 7-(1-ethyl-1H-pyrazol-5-yl)-2H-1,3-benzodioxole-5-carbaldehyde
CAS No: 2044773-78-4 Catalog No: AG01B744 MDL No:MFCD30476143
Product Description
Catalog Number:
AG01B744
Chemical Name:
7-(1-ethyl-1H-pyrazol-5-yl)-2H-1,3-benzodioxole-5-carbaldehyde
CAS Number:
2044773-78-4
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD30476143
IUPAC Name:
7-(2-ethylpyrazol-3-yl)-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C13H12N2O3/c1-2-15-11(3-4-14-15)10-5-9(7-16)6-12-13(10)18-8-17-12/h3-7H,2,8H2,1H3
InChI Key:
GXSFMLMXIXEAHZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCOc2c(c1)c1ccnn1CC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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