P-Anisylidenephthalide

CAT: 0024-sc-397679Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-397679Size:500 mg

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CAS Number

4767-61-7

Chemical Information

3-((4-Methoxyphenyl)methylene)phthalide

CAS Number	4767-61-7
PubChem CID	678308
IUPAC Name	(3Z)-3-[(4-methoxyphenyl)methylidene]-2-benzofuran-1-one
Molecular Formula	C16H12O3
Molecular Weight	252.26
XLogP	3.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	366

SMILES

COC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)19-15/h2-10H,1H3/b15-10-

InChIKey

XBPLURLJIACOAL-GDNBJRDFSA-N

Chemical Structure

2D Structure

CAS: 4767-61-7

CID: 678308

Formula: C16H12O3

MW: 252.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.26
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	252.078644241
Monoisotopic Mass	252.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	366
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
sc-477911	P, P'-[ (1,2-Phenylene) bis (methylene) ]bisphosphonic Acid P, P, P', P'-tetraethyl ester
sc-271922 P	P-PKC θ (A-11) P
sc-8394 P	P-Stat1 (A-2) P
sc-271920 P	P-PKC θ (A-4) P
sc-377542 P	P-MYPT1 (A-6) P
sc-365563 P	P-VASP (A-7) P
sc-257963	P, p'-Methoxychlor-olefin
sc-279950	P, P-diphenylphosphinothioic hydrazide
sc-377560 P	P-PKC δ (A-8) P
sc-377528 P	P-Rb (A-5) P

Catalog	Name
259656-01	P-Anisylidenephthalide
HY-157093	Cytidine, 5′- (P, P′, P′′, P′′-tetrahydrogen imidotriphosphate)
HY-157091	Uridine, 5'- (P, P', P'', P''-tetrahydrogen imidotriphosphate)
T7440-01	P, p'-DDE
TRC-D470470-500MG	p,p'-Dimethoxytriphenylcarbinol
MBS5772766	p,p'-DDD
HY-B1984-01	P, p'-DDD
QBA61535-01	P, p'-Dimethoxytriphenylcarbinol
T69553-01	P, p'-DDMS
MBS5812099	p,p'-DDMS