IX 207-887 10mg

CAT: 0628-A13349-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A13349-10Size:10 mg

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

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CAS Number

98320-39-9

Chemical Information

(Z)-10-Methoxy-4H-benzo[4,5]cyclohepta[1,2-B]thiophene-4-ylidene acetic acid

CAS Number	98320-39-9
PubChem CID	6509858
IUPAC Name	(2Z)-2-(8-methoxy-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ylidene)acetic acid
Molecular Formula	C16H12O3S
Molecular Weight	284.3
XLogP	3
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	455

SMILES

COC1=CC2=CC=CC=C2/C(=C/C(=O)O)/C3=C1SC=C3

InChI

InChI=1S/C16H12O3S/c1-19-14-8-10-4-2-3-5-11(10)13(9-15(17)18)12-6-7-20-16(12)14/h2-9H,1H3,(H,17,18)/b13-9-

InChIKey

XIKRQPKFOKKGGW-LCYFTJDESA-N

Chemical Structure

2D Structure

CAS: 98320-39-9

CID: 6509858

Formula: C16H12O3S

MW: 284.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.3
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	284.05071541
Monoisotopic Mass	284.05071541
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	455
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes