Isosalicifolin

CAT: 0926-GGA97499-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GGA97499-02Size:10 mg

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

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CAS Number

156974-99-1

MDL Number

MFCD26406178

Smiles

COC1=C (C=CC (=C1) CC2COC (=O) C2=CC3=CC (=C (C=C3) O) OC) O

Molecular Formula

C20H20O6

Molecular Weight

356.4 g/mol

Controlled

Chemical Information

Isosalicifolin

CAS Number	156974-99-1
PubChem CID	638390
IUPAC Name	(3E,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
Molecular Formula	C20H20O6
Molecular Weight	356.4
XLogP	3.2
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	518

SMILES

COC1=C(C=CC(=C1)C[C@H]\2COC(=O)/C2=C/C3=CC(=C(C=C3)O)OC)O

InChI

InChI=1S/C20H20O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,8-10,14,21-22H,7,11H2,1-2H3/b15-8+/t14-/m0/s1

InChIKey

RJVKWKAOIHNOQD-GFKDLEGOSA-N

Chemical Structure

2D Structure

CAS: 156974-99-1

CID: 638390

Formula: C20H20O6

MW: 356.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	356.12598835
Monoisotopic Mass	356.12598835
Topological Polar Surface Area	85.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	518
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N3459	Isosalicifolin