2-Methylhippuric acid

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Catalog Number
ACM42013207
Product Name
2-Methylhippuric acid
Structure
Structure
CAS
42013-20-7
Category
Heterocyclic Organic Compound
Synonyms
O-Toluric acid
IUPAC Name
2-[(2-Methylbenzoyl)amino]acetic acid
Molecular Weight
193.2
Molecular Formula
C10H11NO3
Canonical SMILES
CC1=CC=CC=C1C(=O)NCC(=O)O
InChI
InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChI Key
YOEBAVRJHRCKRE-UHFFFAOYSA-N
Boiling Point
329.41 °C
Melting Point
161-164 °C(lit.)
Flash Point
207.3 °C
Density
1.2307 g/cm³
Appearance
White to off-white solid
Storage
Sealed in dry, room temperature
Complexity
227
EC Number
255-622-7
Exact Mass
193.07389321
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
2
Monoisotopic Mass
193.07389321
pKa
3.71±0.10(Predicted)
Refractive Index
1.53
Safety Description
37/39-26
Topological Polar Surface Area
66.4 Ų
WGK Germany
3
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