4-Nitrophenyl laurate

CAT: 0024-sc-206925Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-206925Size:1 g

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CAS Number

1956-11-2

Chemical Information

p-Nitrophenyl laurate

CAS Number	1956-11-2
PubChem CID	74778
IUPAC Name	(4-nitrophenyl) dodecanoate
Molecular Formula	C18H27NO4
Molecular Weight	321.4
XLogP	6.7
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Heavy Atom Count	23
Formal Charge	0
Complexity	332

SMILES

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-14-12-16(13-15-17)19(21)22/h12-15H,2-11H2,1H3

InChIKey

YNGNVZFHHJEZKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1956-11-2

CID: 74778

Formula: C18H27NO4

MW: 321.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.4
XLogP3	6.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	321.19400834
Monoisotopic Mass	321.19400834
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	332
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-290447A	4-Methylumbelliferyl laurate
sc-290447	4-Methylumbelliferyl laurate
sc-251427	Vinyl laurate
sc-215871	Sodium laurate
sc-487262	Amyl Laurate
sc-215871A	Sodium laurate
sc-489664	Benzyl Laurate
sc-397430	Glycidyl Laurate
sc-213877	2-Nitrophenyl- (4-nitrophenyl) phenylamine
sc-490034	Glycidyl laurate-d5