Y-26763 50mg

CAT: 0628-A12271-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A12271-50Size:50 mg

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CAS Number

127408-31-5

Chemical Information

Y 26763

N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-N-hydroxyacetamide is a 1-benzopyran.

CAS Number	127408-31-5
PubChem CID	121878
IUPAC Name	N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-hydroxyacetamide
Molecular Formula	C14H16N2O4
Molecular Weight	276.29
XLogP	0.8
Topological Polar Surface Area	93.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	442

SMILES

CC(=O)N([C@H]1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)O

InChI

InChI=1S/C14H16N2O4/c1-8(17)16(19)12-10-6-9(7-15)4-5-11(10)20-14(2,3)13(12)18/h4-6,12-13,18-19H,1-3H3/t12-,13+/m1/s1

InChIKey

IWTCFIIOUXJOOV-OLZOCXBDSA-N

Chemical Structure

2D Structure

CAS: 127408-31-5

CID: 121878

Formula: C14H16N2O4

MW: 276.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.29
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	276.11100700
Monoisotopic Mass	276.11100700
Topological Polar Surface Area	93.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	442
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-204406A	Y-26763
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