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701-82-6 molecular structure
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(3-hydroxyphenyl)urea

ChemBase ID: 109995
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
NC(=O)Nc1cccc(O)c1
Canonical SMILES:
NC(=O)Nc1cccc(c1)O
InChI:
InChI=1S/C7H8N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9,11)
InChIKey:
IPRCBIWIPMJXIK-UHFFFAOYSA-N

Cite this record

CBID:109995 http://www.chembase.cn/molecule-109995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-hydroxyphenyl)urea
IUPAC Traditional name
M-hydroxyphenylurea
Synonyms
m-HYDROXYPHENYLUREA
1-(3-hydroxyphenyl)urea
1-(3-Hydroxyphenyl)urea
3-羟基苯基脲
CAS Number
701-82-6
EC Number
211-860-3
MDL Number
MFCD00007945
PubChem SID
162096335
PubChem CID
12796

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12796 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.213291  H Acceptors
H Donor LogD (pH = 5.5) 0.5737618 
LogD (pH = 7.4) 0.56726104  Log P 0.5738453 
Molar Refractivity 41.5786 cm3 Polarizability 15.13336 Å3
Polar Surface Area 75.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
182-184 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
HOC6H4NHCONH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05213318 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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