Loureirin B 10mg

CAT: 0628-A14849-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A14849-10Size:10 mg

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CAS Number

119425-90-0

Chemical Information

Loureirin B

Loureirin B is a member of dihydrochalcones.

CAS Number	119425-90-0
PubChem CID	189670
IUPAC Name	1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one
Molecular Formula	C18H20O5
Molecular Weight	316.3
XLogP	3.1
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	350

SMILES

COC1=CC(=C(C(=C1)OC)CCC(=O)C2=CC=C(C=C2)O)OC

InChI

InChI=1S/C18H20O5/c1-21-14-10-17(22-2)15(18(11-14)23-3)8-9-16(20)12-4-6-13(19)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3

InChIKey

ZPFRAPVRYLGYEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119425-90-0

CID: 189670

Formula: C18H20O5

MW: 316.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.3
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	316.13107373
Monoisotopic Mass	316.13107373
Topological Polar Surface Area	65 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	350
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