11-Phosphonoundecanoic Acid

CAT: 0127-OR1009328-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1009328-01Size:100 mg

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CAS Number

4494-24-0

MDL Number

MFCD00015163

Purity

97%

Smiles

CCCC(P(OCC)(OCC)=O)C(OCC)=O

Chemical Information

11-Phosphonoundecanoic acid

CAS Number	4494-24-0
PubChem CID	16218330
IUPAC Name	11-phosphonoundecanoic acid
Molecular Formula	C11H23O5P
Molecular Weight	266.27
XLogP	1.7
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	17
Formal Charge	0
Complexity	248

SMILES

C(CCCCCP(=O)(O)O)CCCCC(=O)O

InChI

InChI=1S/C11H23O5P/c12-11(13)9-7-5-3-1-2-4-6-8-10-17(14,15)16/h1-10H2,(H,12,13)(H2,14,15,16)

InChIKey

PPPBZNXJGBLLPM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4494-24-0

CID: 16218330

Formula: C11H23O5P

MW: 266.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.27
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	266.12831083
Monoisotopic Mass	266.12831083
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	248
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
U788852	Undecanoic-11,11,11-d3 Acid
HY-W098051	11-Methoxy-11-oxoundecanoic acid
P144526	Hexadecanoic-11,11-d2 Acid
AR-L07479-01	11,11-D2-Linoleic acid
FE22894-01	11-Ethoxycarbonyldodecanoic acid
HY-126864	11-Oxahomofolic acid
TCL-00195-01	11-Methyllauric acid
HY-133823-01	11-Hexadecenoic acid
288882-01	11-cisRetinoic acid
HY-130908-01	11-Maleimidoundecanoic acid