MM0299

CAT: 0127-BUP01295-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01295-02Size:5 mg

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CAS Number

474255-10-2

Purity

=98%

Smiles

O=C(C1=CC=C(OC)C=C1)COC2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6CC56

Chemical Information

2-(4-(2-(4-Methoxyphenyl)-2-oxoethoxy)phenyl)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione

CAS Number	474255-10-2
PubChem CID	2917785
IUPAC Name	4-[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
Molecular Formula	C26H23NO5
Molecular Weight	429.5
XLogP	3.5
Topological Polar Surface Area	72.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	786

SMILES

COC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6

InChI

InChI=1S/C26H23NO5/c1-31-16-6-2-14(3-7-16)22(28)13-32-17-8-4-15(5-9-17)27-25(29)23-18-10-11-19(21-12-20(18)21)24(23)26(27)30/h2-11,18-21,23-24H,12-13H2,1H3

InChIKey

SYUJAWVNBGZCNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 474255-10-2

CID: 2917785

Formula: C26H23NO5

MW: 429.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	429.5
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	429.15762283
Monoisotopic Mass	429.15762283
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	786
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
M37502-01	MM0299

MM0299

Chemical Information

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