Gorlic acid

CAT: 0926-AAA50231Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA50231Size:50 mg

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CAS Number

502-31-8

Smiles

C1CC (C=C1) CCCCCCC=CCCCCC (=O) O

Molecular Formula

C18H30O2

Molecular Weight

278.4 g/mol

Controlled

Chemical Information

Gorlic acid

Gorlic acid is a 13-cyclopent-2-en-1-yltridec-6-enoic acid having R-configuration and a cis-double bond at position 6.

CAS Number	502-31-8
PubChem CID	51351687
IUPAC Name	(Z)-13-[(1R)-cyclopent-2-en-1-yl]tridec-6-enoic acid
Molecular Formula	C18H30O2
Molecular Weight	278.4
XLogP	6.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	20
Formal Charge	0
Complexity	305

SMILES

C1C[C@H](C=C1)CCCCCC/C=C\CCCCC(=O)O

InChI

InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2-/t17-/m0/s1

InChIKey

XADKGDBMULSEAC-MMTGSJLXSA-N

Chemical Structure

2D Structure

CAS: 502-31-8

CID: 51351687

Formula: C18H30O2

MW: 278.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.4
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	278.224580195
Monoisotopic Mass	278.224580195
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
FR11870-01	Ribonucleic acid free acid
G-3600-01	D-Glucuronic acid, free acid
HXC53910	Acid-PEG2-SS-PEG2-acid
HXC88802-01	(3R) -3-Aminodecanoic acid, trifluoroacetic acid
YRA17079	(-) -Phaselic acid
KKA39305-01	Zamanic acid
KFA74312-01	Myrsinoic acid A
JDA64031-01	Carbamic acid
SAA63616-01	Barbatic acid
QEA47363-01	Rupestonic acid

Catalog	Name
451411-01	Gorlic Acid
OR1071368-01	Acid-apeg6-acid
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O5678	Octanoic acid (Caorylic acid)
300571	Liquidambaric acid (Betulonic acid)
300068	Chicoric acid (Cichoric acid)
MBS384708-01	Fumalic acid (Ferulic acid)