Home Other Building Blocks 5-Hydroxy-3-(2,4,5-trimethoxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b

5-Hydroxy-3-(2,4,5-trimethoxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b

CAS No.:
3044-60-8
Catalog Number:
AG00BHYL
Molecular Formula:
C23H22O7
Molecular Weight:
410.4166
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Product Description
Catalog Number:
AG00BHYL
Chemical Name:
5-Hydroxy-3-(2,4,5-trimethoxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b
CAS Number:
3044-60-8
Molecular Formula:
C23H22O7
Molecular Weight:
410.4166
MDL Number:
MFCD00238696
IUPAC Name:
5-hydroxy-8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-h]chromen-4-one
InChI:
InChI=1S/C23H22O7/c1-23(2)7-6-12-17(30-23)9-15(24)20-21(25)14(11-29-22(12)20)13-8-18(27-4)19(28-5)10-16(13)26-3/h6-11,24H,1-5H3
InChI Key:
WNIRAQXHOVJVDB-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1c1coc2c(c1=O)c(O)cc1c2C=CC(O1)(C)C)OC
Properties
Complexity:
714  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.137g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
410.422g/mol
Monoisotopic Mass:
410.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties