Geranyl ferulate

CAT: 0926-GYB61569-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GYB61569-01Size:10 mg

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CAS Number

1206615-69-1

MDL Number

MFCD28975379

Smiles

CC (=CCCC (=CCOC (=O) C=CC1=CC (=C (C=C1) O) OC) C) C

Molecular Formula

C20H26O4

Molecular Weight

330.4 g/mol

Controlled

Chemical Information

Geranyl ferulate

CAS Number	1206615-69-1
PubChem CID	53386338
IUPAC Name	[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Formula	C20H26O4
Molecular Weight	330.4
XLogP	5.2
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	24
Formal Charge	0
Complexity	472

SMILES

CC(=CCC/C(=C/COC(=O)/C=C/C1=CC(=C(C=C1)O)OC)/C)C

InChI

InChI=1S/C20H26O4/c1-15(2)6-5-7-16(3)12-13-24-20(22)11-9-17-8-10-18(21)19(14-17)23-4/h6,8-12,14,21H,5,7,13H2,1-4H3/b11-9+,16-12+

InChIKey

KSRDJVKWHDQVBQ-TWGDSDBMSA-N

Chemical Structure

2D Structure

CAS: 1206615-69-1

CID: 53386338

Formula: C20H26O4

MW: 330.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	330.18310931
Monoisotopic Mass	330.18310931
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	472
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes