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16141-43-8 molecular structure
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3-[(3-hydroxyphenyl)carbamoyl]propanoic acid

ChemBase ID: 310903
Molecular Formular: C10H11NO4
Molecular Mass: 209.19864
Monoisotopic Mass: 209.06880784
SMILES and InChIs

SMILES:
C(=O)(Nc1cc(O)ccc1)CCC(=O)O
Canonical SMILES:
O=C(Nc1cccc(c1)O)CCC(=O)O
InChI:
InChI=1S/C10H11NO4/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(14)15/h1-3,6,12H,4-5H2,(H,11,13)(H,14,15)
InChIKey:
TYCMBBJHYNTEAJ-UHFFFAOYSA-N

Cite this record

CBID:310903 http://www.chembase.cn/molecule-310903.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[(3-hydroxyphenyl)carbamoyl]propanoic acid
IUPAC Traditional name
3-[(3-hydroxyphenyl)carbamoyl]propanoic acid
Synonyms
4-[(3-hydroxyphenyl)amino]-4-oxobutanoic acid
CAS Number
16141-43-8
MDL Number
MFCD00761518

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) -0.8548527  LogD (pH = 7.4) -2.4774547 
Log P 0.7322536  Molar Refractivity 53.7952 cm3
Polarizability 20.084852 Å3 Polar Surface Area 86.63 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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