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For-nle-oh

CAT: 0127-OR930495-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR930495-01Size:250 mg
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CAS Number
133388-96-2
MDL Number
MFCD00237678
Purity
98%
Smiles
CCCC[C@H](NC=O)C(=O)O

Chemical Information

For-nle-OH
CAS Number133388-96-2
PubChem CID7019931
IUPAC Name(2S)-2-formamidohexanoic acid
Molecular FormulaC7H13NO3
Molecular Weight159.18
XLogP1
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
CCCC[C@@H](C(=O)O)NC=O
InChI
InChI=1S/C7H13NO3/c1-2-3-4-6(7(10)11)8-5-9/h5-6H,2-4H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey
IRIJLKLYPXLQSQ-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of For-nle-OH
CAS: 133388-96-2
CID: 7019931
Formula: C7H13NO3
MW: 159.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight159.18
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass159.08954328
Monoisotopic Mass159.08954328
Topological Polar Surface Area66.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes