Hirsutenone 10mg

CAT: 0628-A24234-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A24234-10Size:10 mg

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CAS Number

41137-87-5

Chemical Information

Hirsutenone

(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one is a diarylheptanoid.

CAS Number	41137-87-5
PubChem CID	637394
IUPAC Name	(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one
Molecular Formula	C19H20O5
Molecular Weight	328.4
XLogP	3.1
Topological Polar Surface Area	98
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	422

SMILES

C1=CC(=C(C=C1CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)O)O)O

InChI

InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+

InChIKey

VWHYFMQKJYFLCC-DUXPYHPUSA-N

Chemical Structure

2D Structure

CAS: 41137-87-5

CID: 637394

Formula: C19H20O5

MW: 328.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.4
XLogP3	3.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	328.13107373
Monoisotopic Mass	328.13107373
Topological Polar Surface Area	98 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	422
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

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