Obscurolide A1

CAT: 0024-sc-203167ASize: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-203167ASize:5 mg

Selected

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

Quick Request Actions

CAS Number

144397-99-9

Chemical Information

Obscurolide A1

Obscurolide A1 is an aminobenzoic acid.

CAS Number	144397-99-9
PubChem CID	6438770
IUPAC Name	4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzoic acid
Molecular Formula	C15H17NO5
Molecular Weight	291.30
XLogP	1.2
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	414

SMILES

CC(/C=C/C1C(CC(=O)O1)NC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C15H17NO5/c1-9(17)2-7-13-12(8-14(18)21-13)16-11-5-3-10(4-6-11)15(19)20/h2-7,9,12-13,16-17H,8H2,1H3,(H,19,20)/b7-2+

InChIKey

IZSWILLJDXDGDJ-FARCUNLSSA-N

Chemical Structure

2D Structure

CAS: 144397-99-9

CID: 6438770

Formula: C15H17NO5

MW: 291.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.30
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	291.11067264
Monoisotopic Mass	291.11067264
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	414
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
207308	Obscurolide A1