BM-131246

CAT: 0127-BUP20574-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20574-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

137213-91-3

Purity

=98%

Smiles

N(C(C)=O)[C@H]1CC[C@H](ON(=O)=O)CC1

Chemical Information

(4-Acetamidocyclohexyl) nitrate

CAS Number	137213-91-3
PubChem CID	178390
IUPAC Name	(4-acetamidocyclohexyl) nitrate
Molecular Formula	C8H14N2O4
Molecular Weight	202.21
XLogP	1.1
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	218

SMILES

CC(=O)NC1CCC(CC1)O[N+](=O)[O-]

InChI

InChI=1S/C8H14N2O4/c1-6(11)9-7-2-4-8(5-3-7)14-10(12)13/h7-8H,2-5H2,1H3,(H,9,11)

InChIKey

ZGGZZKIXIOEJCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 137213-91-3

CID: 178390

Formula: C8H14N2O4

MW: 202.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.21
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	202.09535693
Monoisotopic Mass	202.09535693
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218
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