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Valeric acid-[3,4,5-13C3]

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General Information
Catalog: BLP-000281
CAS: 1173023-05-6
Molecular Formula: C2[13C]3H10O2
Molecular Weight: 105.11

Chemical Structure

Synonyms	Pentanoic acid-3,4,5-13C3; Valeric acid-3,4,5-13C3
IUPAC Name	(3,4,5-13C3)pentanoic acid
Related CAS	109-52-4 (unlabelled)
Isomeric SMILES	[13CH3][13CH2][13CH2]CC(=O)O
Canonical SMILES	CCCCC(=O)O
InChI	InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/i1+1,2+1,3+1
InChI Key	NQPDZGIKBAWPEJ-VMIGTVKRSA-N
Boiling Point	185 °C (lit.)
Melting Point	-20 °C (lit.)
Purity	98% (CP); 99% atom 13C
Density	0.966 g/mL at 25 °C
Appearance	Liquid