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129388-65-4 | [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-14-acetic acid, 13,14-dihydro-13-methyl-, (+)-
CAS No: 129388-65-4 Catalog No: AG000Z3F MDL No:
Product Description
Catalog Number:
AG000Z3F
Chemical Name:
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-14-acetic acid, 13,14-dihydro-13-methyl-, (+)-
CAS Number:
129388-65-4
Molecular Formula:
C22H17NO6
Molecular Weight:
391.3735
IUPAC Name:
2-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)acetic acid
InChI:
InChI=1S/C22H17NO6/c1-23-15(8-19(24)25)20-12(4-5-16-22(20)29-10-26-16)13-3-2-11-6-17-18(28-9-27-17)7-14(11)21(13)23/h2-7,15H,8-10H2,1H3,(H,24,25)
InChI Key:
MLIRCDHFNFQJJZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1c2c3OCOc3ccc2c2c(N1C)c1cc3OCOc3cc1cc2
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.106g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.379g/mol
Monoisotopic Mass:
391.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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