MS7972

CAT: 0926-CPA55342-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-CPA55342-03Size:10 mg

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

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CAS Number

352553-42-5

Smiles

C1CC (N (C1) C=O) C2=C (N=CC=C2) OC3=CC=CC=C3

Molecular Formula

C14H13NO2

Molecular Weight

227.26 g/mol

Controlled

Chemical Information

9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

CAS Number	352553-42-5
PubChem CID	853608
IUPAC Name	9-acetyl-3,4-dihydro-2H-carbazol-1-one
Molecular Formula	C14H13NO2
Molecular Weight	227.26
XLogP	2.3
Topological Polar Surface Area	39.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	352

SMILES

CC(=O)N1C2=CC=CC=C2C3=C1C(=O)CCC3

InChI

InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3

InChIKey

MIGJEXKBUJPKJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 352553-42-5

CID: 853608

Formula: C14H13NO2

MW: 227.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.26
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	227.094628657
Monoisotopic Mass	227.094628657
Topological Polar Surface Area	39.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	352
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
BA3479-5	MS7972