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696637-93-1 molecular structure
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2-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetic acid

ChemBase ID: 312228
Molecular Formular: C11H12N2O3
Molecular Mass: 220.22458
Monoisotopic Mass: 220.08479225
SMILES and InChIs

SMILES:
N1(C(=O)N(Cc2c1cccc2)C)CC(=O)O
Canonical SMILES:
OC(=O)CN1C(=O)N(C)Cc2c1cccc2
InChI:
InChI=1S/C11H12N2O3/c1-12-6-8-4-2-3-5-9(8)13(11(12)16)7-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKey:
YYGSYXAQZZTYJV-UHFFFAOYSA-N

Cite this record

CBID:312228 http://www.chembase.cn/molecule-312228.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetic acid
IUPAC Traditional name
(3-methyl-2-oxo-4H-quinazolin-1-yl)acetic acid
Synonyms
(3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetic acid
CAS Number
696637-93-1
MDL Number
MFCD05257419

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) -1.1752002  LogD (pH = 7.4) -2.7888262 
Log P 0.41803947  Molar Refractivity 57.1462 cm3
Polarizability 21.697735 Å3 Polar Surface Area 60.85 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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