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95262-00-3 molecular structure
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2-[(3-methylphenyl)carbamoyl]acetic acid

ChemBase ID: 307858
Molecular Formular: C10H11NO3
Molecular Mass: 193.19924
Monoisotopic Mass: 193.07389322
SMILES and InChIs

SMILES:
C(=O)(CC(=O)O)Nc1cc(ccc1)C
Canonical SMILES:
O=C(Nc1cccc(c1)C)CC(=O)O
InChI:
InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)11-9(12)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKey:
VXGWLFVNSUWCNK-UHFFFAOYSA-N

Cite this record

CBID:307858 http://www.chembase.cn/molecule-307858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3-methylphenyl)carbamoyl]acetic acid
IUPAC Traditional name
2-[(3-methylphenyl)carbamoyl]acetic acid
Synonyms
3-[(3-methylphenyl)amino]-3-oxopropanoic acid
CAS Number
95262-00-3
MDL Number
MFCD09157987

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.28259808  LogD (pH = 7.4) -1.4277927 
Log P 1.616606  Molar Refractivity 52.3063 cm3
Polarizability 19.358267 Å3 Polar Surface Area 66.4 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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