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Boc- (2-aminophenyl) acetic acid

CAT: 0024-sc-470291Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-470291Size:100 mg
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CAS Number
135807-51-1

Chemical Information

2-(2-(((Tert-butoxy)carbonyl)amino)phenyl)acetic acid
CAS Number135807-51-1
PubChem CID17890355
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
Molecular FormulaC13H17NO4
Molecular Weight251.28
XLogP1.9
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity309
SMILES
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)O
InChI
InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10-7-5-4-6-9(10)8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
FURUSGMMMFSWDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(((Tert-butoxy)carbonyl)amino)phenyl)acetic acid
CAS: 135807-51-1
CID: 17890355
Formula: C13H17NO4
MW: 251.28
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.28
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass251.11575802
Monoisotopic Mass251.11575802
Topological Polar Surface Area75.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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