HLY78

CAT: 0127-BUP16204-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16204-03Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

854847-61-3

Synonyms

4-Ethyl-5-methyl-5,6-dihydro-[1,3]dioxolo[4,5-j]phenanthridine

Purity

=98%

Smiles

CCc1cccc2-c3cc4OCOc4cc3CN(C)c12

Chemical Information

4-Ethyl-5-methyl-5,6-dihydro-[1,3]dioxolo[4,5-j]phenanthridine

CAS Number	854847-61-3
PubChem CID	44422459
IUPAC Name	4-ethyl-5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridine
Molecular Formula	C17H17NO2
Molecular Weight	267.32
XLogP	3.9
Topological Polar Surface Area	21.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	361

SMILES

CCC1=C2C(=CC=C1)C3=CC4=C(C=C3CN2C)OCO4

InChI

InChI=1S/C17H17NO2/c1-3-11-5-4-6-13-14-8-16-15(19-10-20-16)7-12(14)9-18(2)17(11)13/h4-8H,3,9-10H2,1-2H3

InChIKey

FAZZYPIBZBGQSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 854847-61-3

CID: 44422459

Formula: C17H17NO2

MW: 267.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.32
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	267.125928785
Monoisotopic Mass	267.125928785
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	361
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes