4-Nerolidylcatechol

CAT: 1596-AR-N01323-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N01323-02Size:25 Units

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CAS Number

74683-11-7

Synonyms

(E) -4- (3,7,11-trimethyldodeca-1,6,10-trien-3-yl) benzene-1,2-diol

Molecular Formula

C21H30O2

Molecular Weight

314.47

API Name

Nerolidylcatechol

Chemical Information

4-Nerolidylcatechol

4-Nerolidylcatechol is a sesquiterpenoid.

CAS Number	74683-11-7
PubChem CID	5352089
IUPAC Name	4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
Molecular Formula	C21H30O2
Molecular Weight	314.5
XLogP	7
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	23
Formal Charge	0
Complexity	431

SMILES

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

InChI

InChI=1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+

InChIKey

ZBZZDHDWRSFLAY-GZTJUZNOSA-N

Chemical Structure

2D Structure

CAS: 74683-11-7

CID: 5352089

Formula: C21H30O2

MW: 314.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.5
XLogP3	7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	314.224580195
Monoisotopic Mass	314.224580195
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	431
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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AR-V06283-01	3- (Methyl-d3) -L-Valine-4,4,4,4',4',4'-d6 Hydrochloride
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AR-D06569-01	4,4'-DDT
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AR-P31062-01	4,4'-Azoxydiphenol
AR-H01076-01	4,4-Dipropylheptane
AR-P31131-01	4,4'-Oxydiacetophenone

Catalog	Name
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PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
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