5-Methyl-1-indanone

CAT: 0127-OR471644-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR471644-01Size:5 g

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

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CAS Number

4593-38-8

MDL Number

MFCD00032996

Purity

98%

Smiles

Cc1ccc2C(=O)CCc2c1

Chemical Information

5-Methyl-1-indanone

CAS Number	4593-38-8
PubChem CID	10130031
IUPAC Name	5-methyl-2,3-dihydroinden-1-one
Molecular Formula	C10H10O
Molecular Weight	146.19
XLogP	2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	174

SMILES

CC1=CC2=C(C=C1)C(=O)CC2

InChI

InChI=1S/C10H10O/c1-7-2-4-9-8(6-7)3-5-10(9)11/h2,4,6H,3,5H2,1H3

InChIKey

KBHCTNGQJOEDDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4593-38-8

CID: 10130031

Formula: C10H10O

MW: 146.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.19
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	146.073164938
Monoisotopic Mass	146.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174
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