4-Methoxy-1-indanone

CAT: 0024-sc-254693Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254693Size:1 g

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CAS Number

13336-31-7

Chemical Information

4-methoxy-2,3-dihydro-1H-inden-1-one

CAS Number	13336-31-7
PubChem CID	4547491
IUPAC Name	4-methoxy-2,3-dihydroinden-1-one
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	1.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

COC1=CC=CC2=C1CCC2=O

InChI

InChI=1S/C10H10O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4H,5-6H2,1H3

InChIKey

BTYSYELHQDGJAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13336-31-7

CID: 4547491

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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