12-Phenyldodecanoic acid

CAT: 0024-sc-258966ASize: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-258966ASize:250 mg

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CAS Number

14507-27-8

Chemical Information

12-Phenyllauric acid

12-Phenyllauric acid has been reported in Trichilia claussenii with data available.

CAS Number	14507-27-8
PubChem CID	151922
IUPAC Name	12-phenyldodecanoic acid
Molecular Formula	C18H28O2
Molecular Weight	276.4
XLogP	6.3
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	232

SMILES

C1=CC=C(C=C1)CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20)

InChIKey

IXEHFJJSVBVZHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14507-27-8

CID: 151922

Formula: C18H28O2

MW: 276.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.4
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	276.208930132
Monoisotopic Mass	276.208930132
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	232
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-213597	12-Hydroxyoctadecanoic acid
sc-506296	12-Tridecenoic acid
sc-213602	12-Methyltridecanoic acid
sc-251621	12-Mercaptododecanoic acid
sc-213597B	12-Hydroxyoctadecanoic acid
sc-265116	12-Aminododecanoic acid
sc-213601	12-Methyltetradecanoic acid
sc-396978	12-Mercaptododecylphosphonic acid
sc-471342	12-Methoxydodecanoic acid
sc-237812	12-Bromododecanoic acid

Catalog	Name
TRC-P321645-1G	12-Phenyldodecanoic Acid
MBS393774-01	Dodecanoic-12,12,12-D3 Acid
HY-W129669	12- (Benzyloxy) -12-oxododecanoic acid
OR1009331-01	12-Ethoxy-12-Oxododecanoic Acid
GTR19270503-01	12-hydroxy-12-methyltetradecanoic acid
HY-W098050	12-Methoxy-12-oxododecanoic acid
AR-H07467-01	12-Hydroxyeicosapentaenoic acid (12-HEPE)
TRC-D497340-25MG	12,12'-Iminobis-dodecanoic Acid
AAA10614	12-Hydroxyoctadecanoic acid
IDA90581-01	12-Acetoxyabietic acid