Micromelin

CAT: 0926-QAA08571-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-QAA08571-01Size:5 mg

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CAS Number

15085-71-9

MDL Number

MFCD20260414

Smiles

CC12C (O1) C (OC2=O) C3=C (C=C4C (=C3) C=CC (=O) O4) OC

Molecular Formula

C15H12O6

Molecular Weight

288.25 g/mol

Controlled

Chemical Information

Micromelin

Micromelin is a member of coumarins.

CAS Number	15085-71-9
PubChem CID	73230
IUPAC Name	7-methoxy-6-[(1S,2S,5S)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]chromen-2-one
Molecular Formula	C15H12O6
Molecular Weight	288.25
XLogP	1.3
Topological Polar Surface Area	74.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	528

SMILES

C[C@@]12[C@@H](O1)[C@@H](OC2=O)C3=C(C=C4C(=C3)C=CC(=O)O4)OC

InChI

InChI=1S/C15H12O6/c1-15-13(21-15)12(20-14(15)17)8-5-7-3-4-11(16)19-9(7)6-10(8)18-2/h3-6,12-13H,1-2H3/t12-,13-,15-/m0/s1

InChIKey

VIORQNDMAWQQCV-YDHLFZDLSA-N

Chemical Structure

2D Structure

CAS: 15085-71-9

CID: 73230

Formula: C15H12O6

MW: 288.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.25
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	288.06338810
Monoisotopic Mass	288.06338810
Topological Polar Surface Area	74.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	528
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
BM184170-01	Microcolin B

Catalog	Name
AB2480	Micromelin