Boc-Phg-OH

CAT: 0607-BA9398-500000Size: 500 gDry Ice: NoHazardous: No

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CAT#:0607-BA9398-500000Size:500 g

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

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CAS Number

2900-27-8

Form

A solid

Molecular Formula

C13H17NO4

Molecular Weight

251.28

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

(2S)-2-(((tert-butoxy)carbonyl)amino)-2-phenylacetic acid

CAS Number	2900-27-8
PubChem CID	11010409
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid
Molecular Formula	C13H17NO4
Molecular Weight	251.28
XLogP	2.2
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	303

SMILES

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

InChI

InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1

InChIKey

HOBFSNNENNQQIU-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 2900-27-8

CID: 11010409

Formula: C13H17NO4

MW: 251.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.28
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	251.11575802
Monoisotopic Mass	251.11575802
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	303
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