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124589-79-3 molecular structure
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2-{[(2-methoxyphenyl)methyl]amino}acetic acid

ChemBase ID: 306653
Molecular Formular: C10H13NO3
Molecular Mass: 195.21512
Monoisotopic Mass: 195.08954328
SMILES and InChIs

SMILES:
C(=O)(O)CNCc1c(OC)cccc1
Canonical SMILES:
COc1ccccc1CNCC(=O)O
InChI:
InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-8(9)6-11-7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKey:
GZWRFKISPFGGPQ-UHFFFAOYSA-N

Cite this record

CBID:306653 http://www.chembase.cn/molecule-306653.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(2-methoxyphenyl)methyl]amino}acetic acid
IUPAC Traditional name
{[(2-methoxyphenyl)methyl]amino}acetic acid
Synonyms
N-(2-methoxybenzyl)glycine
CAS Number
124589-79-3
MDL Number
MFCD08060562

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6186  LogD (pH = 7.4) -1.6255085 
Log P -1.618662  Molar Refractivity 51.8538 cm3
Polarizability 20.415335 Å3 Polar Surface Area 58.56 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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