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593-85-1 molecular structure
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carbonic acid; guanidine

ChemBase ID: 180019
Molecular Formular: C2H7N3O3
Molecular Mass: 121.09528
Monoisotopic Mass: 121.0487411
SMILES and InChIs

SMILES:
NC(=N)N.C(=O)(O)O
Canonical SMILES:
NC(=N)N.OC(=O)O
InChI:
InChI=1S/CH5N3.CH2O3/c2*2-1(3)4/h(H5,2,3,4);(H2,2,3,4)
InChIKey:
KMSRVXJGTIRNNK-UHFFFAOYSA-N

Cite this record

CBID:180019 http://www.chembase.cn/molecule-180019.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
carbonic acid; guanidine
IUPAC Traditional name
guanidine; soda
Synonyms
Guanidine carbonate
CAS Number
593-85-1
PubChem SID
164235929
PubChem CID
286947

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Chemik CHO0042 external link Add to cart
PubChem 286947 external link
Data Source Data ID Price
Chemik
CHO0042 external link Add to cart Please log in.
Data Source Data ID
PubChem 286947 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.6522877  LogD (pH = 7.4) -3.6514976 
Log P -1.236839  Molar Refractivity 25.8588 cm3
Polarizability 5.61125 Å3 Polar Surface Area 75.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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