N-Phenyliminodiacetic acid

CAT: 1596-AR-A05425-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05425-01Size:10 Units

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CAS Number

1137-73-1

Synonyms

2,2'- (phenylazanediyl) diacetic acid

Molecular Formula

C10H11NO4

Molecular Weight

209.20

API Name

Acetic acid

Chemical Information

N-Phenyliminodiacetic acid

structure given in first source

CAS Number	1137-73-1
PubChem CID	136915
IUPAC Name	2-[N-(carboxymethyl)anilino]acetic acid
Molecular Formula	C10H11NO4
Molecular Weight	209.20
XLogP	1.2
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	220

SMILES

C1=CC=C(C=C1)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C10H11NO4/c12-9(13)6-11(7-10(14)15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15)

InChIKey

GQBWTAGIANQVGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1137-73-1

CID: 136915

Formula: C10H11NO4

MW: 209.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.20
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	209.06880783
Monoisotopic Mass	209.06880783
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	220
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

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