Z-Asp-OH 100g

CAT: 0628-A23302-100000Size: 100000 mgDry Ice: NoHazardous: No

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CAT#:0628-A23302-100000Size:100000 mg

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

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CAS Number

1152-61-0

Chemical Information

N-(Benzyloxycarbonyl)aspartic acid

CAS Number	1152-61-0
PubChem CID	2723942
IUPAC Name	(2S)-2-(phenylmethoxycarbonylamino)butanedioic acid
Molecular Formula	C12H13NO6
Molecular Weight	267.23
XLogP	0.6
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	19
Formal Charge	0
Complexity	337

SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1

InChIKey

XYXYXSKSTZAEJW-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 1152-61-0

CID: 2723942

Formula: C12H13NO6

MW: 267.23

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	267.23
XLogP3	0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	267.07428713
Monoisotopic Mass	267.07428713
Topological Polar Surface Area	113 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	337
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