Glycoborinine

CAT: 0926-IJA27939-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-IJA27939-01Size:5 mg

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CAS Number

233279-39-5

Smiles

CC1=CC2=C (C=C1O) NC3=C2C4=C (C=C3) OC (C=C4) (C) C

Molecular Formula

C18H17NO2

Molecular Weight

279.3 g/mol

Controlled

Chemical Information

Glycoborinine

3,3,10-trimethyl-7H-pyrano[2,3-c]carbazol-9-ol has been reported in Glycosmis parviflora and Glycosmis pentaphylla with data available.

CAS Number	233279-39-5
PubChem CID	10446329
IUPAC Name	3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol
Molecular Formula	C18H17NO2
Molecular Weight	279.3
XLogP	4.3
Topological Polar Surface Area	45.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	446

SMILES

CC1=CC2=C(C=C1O)NC3=C2C4=C(C=C3)OC(C=C4)(C)C

InChI

InChI=1S/C18H17NO2/c1-10-8-12-14(9-15(10)20)19-13-4-5-16-11(17(12)13)6-7-18(2,3)21-16/h4-9,19-20H,1-3H3

InChIKey

KGHHJTRYOSFBOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 233279-39-5

CID: 10446329

Formula: C18H17NO2

MW: 279.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.3
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	279.125928785
Monoisotopic Mass	279.125928785
Topological Polar Surface Area	45.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	446
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

Catalog	Name
HY-N8361	Glycoborinine