HFI-142 10mg

CAT: 0628-A19709-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A19709-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

332164-34-8

Chemical Information

ethyl 2-amino-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate

CAS Number	332164-34-8
PubChem CID	655457
IUPAC Name	ethyl 2-amino-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
Molecular Formula	C17H16N2O4
Molecular Weight	312.32
XLogP	2.4
Topological Polar Surface Area	94.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	479

SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C=CC(=C2)O)N

InChI

InChI=1S/C17H16N2O4/c1-2-22-17(21)15-14(10-4-3-7-19-9-10)12-6-5-11(20)8-13(12)23-16(15)18/h3-9,14,20H,2,18H2,1H3

InChIKey

JOPNHSIHFSZJMB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 332164-34-8

CID: 655457

Formula: C17H16N2O4

MW: 312.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.32
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	312.11100700
Monoisotopic Mass	312.11100700
Topological Polar Surface Area	94.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes