1-Caffeoylquinic acid

Cat. No.: PI1241878

Product Details Computed Properties

CAS	1241-87-8
Synonyms	Cinnamic acid,3,4-dihydroxy-,(-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester
Molecular Formula	C16H18O9
Molecular Weight	354.31
Density	1.7±0.1 g/cm3
Boiling Point	636.2±55.0 °C at 760 mmHg
Flash Point	234.5±25.0 °C
Refractive Index	1.690
Vapor Pressure	4.66E-17 mmHg at 25 °C

XLogP3	-0.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	354.09508215
Monoisotopic Mass	354.09508215
Heavy Atom Count	25
Complexity	520
Defined Atom Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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