Anirolac

CAT: 1596-AR-A04686-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A04686-01Size:10 Units

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

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CAS Number

66635-85-6

Synonyms

2,3-Dihydro-5- (4-methoxybenzoyl) -1H-pyrrolizine-1-carboxylic acid

Molecular Formula

C16H15NO4

API Name

Anirolac

Chemical Information

Anirolac

CAS Number	66635-85-6
PubChem CID	47975
IUPAC Name	5-(4-methoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
Molecular Formula	C16H15NO4
Molecular Weight	285.29
XLogP	1.9
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	417

SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

InChI

InChI=1S/C16H15NO4/c1-21-11-4-2-10(3-5-11)15(18)14-7-6-13-12(16(19)20)8-9-17(13)14/h2-7,12H,8-9H2,1H3,(H,19,20)

InChIKey

HEOZYYOUKGGSBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66635-85-6

CID: 47975

Formula: C16H15NO4

MW: 285.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.29
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	285.10010796
Monoisotopic Mass	285.10010796
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	417
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1005224	Anirolac