Boc-12-Ado-OH

CAT: 0024-sc-293632ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293632ASize:5 g

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

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CAS Number

18934-81-1

Chemical Information

N-t-Butyloxycarbonyl-12-amino-dodecanoic acid

CAS Number	18934-81-1
PubChem CID	4428132
IUPAC Name	12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoic acid
Molecular Formula	C17H33NO4
Molecular Weight	315.4
XLogP	4.7
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Heavy Atom Count	22
Formal Charge	0
Complexity	310

SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C17H33NO4/c1-17(2,3)22-16(21)18-14-12-10-8-6-4-5-7-9-11-13-15(19)20/h4-14H2,1-3H3,(H,18,21)(H,19,20)

InChIKey

NNPOZNVKUHYVEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18934-81-1

CID: 4428132

Formula: C17H33NO4

MW: 315.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	315.4
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Exact Mass	315.24095853
Monoisotopic Mass	315.24095853
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	310
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