N- (Hydroxymethyl) nonanamide

CAT: 0127-OR97028-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR97028-01Size:1 g

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CAS Number

130535-83-0

MDL Number

MFCD00156149

Purity

=95%

Smiles

CCCCCCCCC(=O)NCO

Chemical Information

N-(hydroxymethyl)nonanamide

CAS Number	130535-83-0
PubChem CID	348823
IUPAC Name	N-(hydroxymethyl)nonanamide
Molecular Formula	C10H21NO2
Molecular Weight	187.28
XLogP	2.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	126

SMILES

CCCCCCCCC(=O)NCO

InChI

InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-10(13)11-9-12/h12H,2-9H2,1H3,(H,11,13)

InChIKey

NDENIKIKWXFRDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 130535-83-0

CID: 348823

Formula: C10H21NO2

MW: 187.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.28
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	187.157228913
Monoisotopic Mass	187.157228913
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	126
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

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