Allosecurinine

CAT: 0607-BA2152-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2152-1Size:1 mg

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CAS Number

884-68-4

Form

A solid

Molecular Formula

C13H15NO2

Molecular Weight

217.26

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Allosecurinine

Allosecurinine is a member of indolizines.

CAS Number	884-68-4
PubChem CID	12305986
IUPAC Name	(1S,2S,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Molecular Formula	C13H15NO2
Molecular Weight	217.26
XLogP	1.1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	426

SMILES

C1CCN2[C@@H](C1)[C@]34C[C@H]2C=CC3=CC(=O)O4

InChI

InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11+,13+/m1/s1

InChIKey

SWZMSZQQJRKFBP-MDZLAQPJSA-N

Chemical Structure

2D Structure

CAS: 884-68-4

CID: 12305986

Formula: C13H15NO2

MW: 217.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.26
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	217.110278721
Monoisotopic Mass	217.110278721
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	426
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N2377-01	Allosecurinine