Linalyl Anthranilate

CAT: 1596-AR-A06656-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06656-02Size:25 Units

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CAS Number

7149-26-0

Molecular Formula

C17H23NO2

Molecular Weight

273.38

API Name

Anthranilic acid

Chemical Information

Linalyl anthranilate

Linalyl anthranilate is an arene and a terpene.

CAS Number	7149-26-0
PubChem CID	23535
IUPAC Name	3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate
Molecular Formula	C17H23NO2
Molecular Weight	273.37
XLogP	4.8
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	371

SMILES

CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N)C

InChI

InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3

InChIKey

WHIJSULEEDNKPD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7149-26-0

CID: 23535

Formula: C17H23NO2

MW: 273.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.37
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	273.172878976
Monoisotopic Mass	273.172878976
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	371
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes