4Y8

1-hydroxypropan-2-one

Created:	2015-03-05
Last modified:	2024-09-27

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3 entries where 4Y8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	11
Chiral Atom Count	0
Bond Count	10
Aromatic Bond Count	0

2D diagram of 4Y8

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Chemical Component Summary
Name	1-hydroxypropan-2-one
Systematic Name (OpenEye OEToolkits)	1-oxidanylpropan-2-one
Formula	C₃ H₆ O₂
Molecular Weight	74.079
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C)CO
SMILES	CACTVS	3.385	CC(=O)CO
SMILES	OpenEye OEToolkits	1.9.2	CC(=O)CO
Canonical SMILES	CACTVS	3.385	CC(=O)CO
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(=O)CO
InChI	InChI	1.03	InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
InChIKey	InChI	1.03	XLSMFKSTNGKWQX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8299
ChEBI	CHEBI:27957
CCDC/CSD	UQEWOD, KASSEE

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