Home Other Building Blocks 4',6,7-Trimethoxyisoflavone

4',6,7-Trimethoxyisoflavone

CAS No.:
798-61-8
Catalog Number:
AG00G450
Molecular Formula:
C18H16O5
Molecular Weight:
312.3166
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97.0%(GC)
1 week
United States
$263
- +
Product Description
Catalog Number:
AG00G450
Chemical Name:
4',6,7-Trimethoxyisoflavone
CAS Number:
798-61-8
Molecular Formula:
C18H16O5
Molecular Weight:
312.3166
MDL Number:
MFCD00016949
IUPAC Name:
6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-23-15-9-17(22-3)16(21-2)8-13(15)18(14)19/h4-10H,1-3H3
InChI Key:
YHXIOAVHEXKZCQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)OC)OC
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.1g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.321g/mol
Monoisotopic Mass:
312.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Biotransformation of isoflavones by the larvae of the common cutworm (Spodoptera litura). Chemical & pharmaceutical bulletin 20060501
Properties