7-O-Ethyldaidzein

CAT: 0024-sc-207181Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-207181Size:10 mg

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CAS Number

146698-96-6

Chemical Information

7-Ethoxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

CAS Number	146698-96-6
PubChem CID	4198873
IUPAC Name	7-ethoxy-3-(4-hydroxyphenyl)chromen-4-one
Molecular Formula	C17H14O4
Molecular Weight	282.29
XLogP	3.2
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	409

SMILES

CCOC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H14O4/c1-2-20-13-7-8-14-16(9-13)21-10-15(17(14)19)11-3-5-12(18)6-4-11/h3-10,18H,2H2,1H3

InChIKey

YMGLMEIZDQKJBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 146698-96-6

CID: 4198873

Formula: C17H14O4

MW: 282.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.29
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	282.08920892
Monoisotopic Mass	282.08920892
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	409
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

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