Cbz-NH-PEG1-CH2CH2COOH

CAT: 0127-BUP17434Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP17434Size:100 mg

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

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CAS Number

1205751-19-4

Purity

=98%

Smiles

OC(=O)CCOCCNC(=O)OCc1ccccc1

Chemical Information

Cbz-NH-peg1-CH2CH2cooh

CAS Number	1205751-19-4
PubChem CID	118986709
IUPAC Name	3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoic acid
Molecular Formula	C13H17NO5
Molecular Weight	267.28
XLogP	0.8
Topological Polar Surface Area	84.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	19
Formal Charge	0
Complexity	276

SMILES

C1=CC=C(C=C1)COC(=O)NCCOCCC(=O)O

InChI

InChI=1S/C13H17NO5/c15-12(16)6-8-18-9-7-14-13(17)19-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,17)(H,15,16)

InChIKey

CRNWVZCUBIJZEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1205751-19-4

CID: 118986709

Formula: C13H17NO5

MW: 267.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.28
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	267.11067264
Monoisotopic Mass	267.11067264
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	276
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