MMP2-IN-1

CAT: 0607-BA3092-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3092-25Size:25 mg

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

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CAS Number

2764598-01-6

Form

A solid

Molecular Formula

C15H13NO5S

Molecular Weight

319.33

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Mmp2-IN-1

CAS Number	2764598-01-6
PubChem CID	163322399
IUPAC Name	4-(4-methylphenyl)sulfonyl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione
Molecular Formula	C15H13NO5S
Molecular Weight	319.3
XLogP	1.2
Topological Polar Surface Area	89.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	634

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)COC23C=CC(=O)C=C3

InChI

InChI=1S/C15H13NO5S/c1-11-2-4-13(5-3-11)22(19,20)16-14(18)10-21-15(16)8-6-12(17)7-9-15/h2-9H,10H2,1H3

InChIKey

XXJKWYKORAOIFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2764598-01-6

CID: 163322399

Formula: C15H13NO5S

MW: 319.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.3
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	319.05144369
Monoisotopic Mass	319.05144369
Topological Polar Surface Area	89.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	634
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

Catalog	Name
BA8030-1	MMP2-IN-3
BA8030-5	MMP2-IN-3
BA8029-100	MMP2-IN-2
BA8030-25	MMP2-IN-3
BA8029-50	MMP2-IN-2
BA8030-10	MMP2-IN-3
BA8029-5	MMP2-IN-2
BA8029-25	MMP2-IN-2
BA8029-10	MMP2-IN-2
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