Citromycin

CAT: 0926-MBA20930-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-MBA20930-02Size:25 mg

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CAS Number

37209-30-6

Smiles

CN1CCC (C1) OC2=CC=C (C=C2) Br

Molecular Formula

C13H10O5

Molecular Weight

246.21 g/mol

Controlled

Chemical Information

8,9-Dihydroxy-2-methyl-4H,5H-pyrano(3,2-c)(1)benzopyran-4-one

Citromycin is a 1-benzopyran.

CAS Number	37209-30-6
PubChem CID	3084655
IUPAC Name	8,9-dihydroxy-2-methyl-5H-pyrano[3,2-c]chromen-4-one
Molecular Formula	C13H10O5
Molecular Weight	246.21
XLogP	1
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	450

SMILES

CC1=CC(=O)C2=C(O1)C3=CC(=C(C=C3OC2)O)O

InChI

InChI=1S/C13H10O5/c1-6-2-9(14)8-5-17-12-4-11(16)10(15)3-7(12)13(8)18-6/h2-4,15-16H,5H2,1H3

InChIKey

QZZUHPUWIRSQPB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37209-30-6

CID: 3084655

Formula: C13H10O5

MW: 246.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.21
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	246.05282342
Monoisotopic Mass	246.05282342
Topological Polar Surface Area	76 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	450
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
FC32531-01	Citromycetin

Catalog	Name
MBS5762085	Citromycin