Boc-Ala-aldehyde

CAT: 0127-OR963550-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR963550-01Size:250 mg

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CAS Number

79069-50-4

MDL Number

MFCD00143786

Purity

98%

Smiles

C[C@H](NC(=O)OC(C)(C)C)C=O

Storage Conditions

Store at -20°C

Chemical Information

tert-butyl N-((2S)-1-oxopropan-2-yl)carbamate

CAS Number	79069-50-4
PubChem CID	7015728
IUPAC Name	tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate
Molecular Formula	C8H15NO3
Molecular Weight	173.21
XLogP	0.9
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

C[C@@H](C=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1

InChIKey

OEQRZPWMXXJEKU-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 79069-50-4

CID: 7015728

Formula: C8H15NO3

MW: 173.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.21
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	173.10519334
Monoisotopic Mass	173.10519334
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes