SPB 50mg

CAT: 0628-A19613-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A19613-50Size:50 mg

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

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CAS Number

858128-57-1

Chemical Information

Succinimidyl-[4-(psoralen-8-yloxy)]butyrate

CAS Number	858128-57-1
PubChem CID	15950836
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutanoate
Molecular Formula	C19H15NO8
Molecular Weight	385.3
XLogP	1.2
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	688

SMILES

C1CC(=O)N(C1=O)OC(=O)CCCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3

InChI

InChI=1S/C19H15NO8/c21-13-4-5-14(22)20(13)28-16(24)2-1-8-25-19-17-12(7-9-26-17)10-11-3-6-15(23)27-18(11)19/h3,6-7,9-10H,1-2,4-5,8H2

InChIKey

ZOMXGWWLJXRQKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 858128-57-1

CID: 15950836

Formula: C19H15NO8

MW: 385.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.3
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	385.07976644
Monoisotopic Mass	385.07976644
Topological Polar Surface Area	112 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	688
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

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