MKC9989

CAT: 0926-NDC93420-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-NDC93420-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

1338934-20-5

MDL Number

MFCD28386191

Smiles

CC1=C (C (=O) OC2=C (C (=C (C=C12) OC) O) C=O) CCOCCOC

Molecular Formula

C17H20O7

Molecular Weight

336.3 g/mol

Controlled

Chemical Information

7-Hydroxy-6-methoxy-3-(2-(2-methoxyethoxy)ethyl)-4-methyl-2-oxo-2h-chromene-8-carbaldehyde

CAS Number	1338934-20-5
PubChem CID	89542001
IUPAC Name	7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methyl-2-oxochromene-8-carbaldehyde
Molecular Formula	C17H20O7
Molecular Weight	336.3
XLogP	1.4
Topological Polar Surface Area	91.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	24
Formal Charge	0
Complexity	487

SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)OC)O)C=O)CCOCCOC

InChI

InChI=1S/C17H20O7/c1-10-11(4-5-23-7-6-21-2)17(20)24-16-12(10)8-14(22-3)15(19)13(16)9-18/h8-9,19H,4-7H2,1-3H3

InChIKey

QSVDQIXSUDHAOF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1338934-20-5

CID: 89542001

Formula: C17H20O7

MW: 336.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.3
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	336.12090297
Monoisotopic Mass	336.12090297
Topological Polar Surface Area	91.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes