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154185-82-7 | 1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-5-(3,4-dimethoxyphenyl)-3-(2 -(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)-
CAS No: 154185-82-7 Catalog No: AG00B2K3 MDL No:
Product Description
Catalog Number:
AG00B2K3
Chemical Name:
1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-5-(3,4-dimethoxyphenyl)-3-(2 -(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl)-
CAS Number:
154185-82-7
IUPAC Name:
3-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)-4-oxochromen-6-yl]-3,4-dihydropyrazole-2-carbaldehyde
InChI:
InChI=1S/C29H26N2O7/c1-34-25-9-6-18(12-28(25)36-3)22-14-21(30-31(22)16-32)17-5-8-24-20(11-17)23(33)15-27(38-24)19-7-10-26(35-2)29(13-19)37-4/h5-13,15-16,22H,14H2,1-4H3
InChI Key:
JSHRBVHKJFJSMK-UHFFFAOYSA-N
Properties
Complexity:
923
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.174g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.534g/mol
Monoisotopic Mass:
514.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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