Isopropoxybenzene

CAT: 0024-sc-353639ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-353639ASize:5 g

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CAS Number

2741-16-4

Chemical Information

(1-Methylethoxy)benzene

CAS Number	2741-16-4
PubChem CID	75966
IUPAC Name	propan-2-yloxybenzene
Molecular Formula	C9H12O
Molecular Weight	136.19
XLogP	2.3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	82

SMILES

CC(C)OC1=CC=CC=C1

InChI

InChI=1S/C9H12O/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey

ZYNMJJNWXVKJJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2741-16-4

CID: 75966

Formula: C9H12O

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	136.088815002
Monoisotopic Mass	136.088815002
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	82.7
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
CAA74116	Isopropoxybenzene
OR25710-01	1-Isopropoxybenzene
266063-01	1-Benzyl-4-Isopropoxybenzene
261814-01	1-Bromo-3-isopropoxybenzene
abx180168-01	1-Bromo-4-isopropoxybenzene
OR1073645-01	1- (Bromomethyl) -2-isopropoxybenzene
OR1092973-01	1- (Benzyloxy) -3-isopropoxybenzene
OR1035948-01	1-Ethynyl-2-isopropoxybenzene
JHA97027-01	1- (Bromomethyl) -3-isopropoxybenzene
JH912818	4-Bromo2-chloro-isopropoxybenzene