4-Isopropenylanisole

CAT: 0127-OR2606-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR2606-01Size:250 mg

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CAS Number

1712-69-2

Synonyms

1-Methoxy-4- (prop-1-en-2-yl) benzene, Methyl 4- (prop-1-en-2-yl) phenyl ether

MDL Number

MFCD09414742

Purity

95%

Smiles

COc1ccc(cc1)C(=C)C

Chemical Information

1-Methoxy-4-(1-methylethenyl)benzene

CAS Number	1712-69-2
PubChem CID	259414
IUPAC Name	1-methoxy-4-prop-1-en-2-ylbenzene
Molecular Formula	C10H12O
Molecular Weight	148.20
XLogP	3.7
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	132

SMILES

CC(=C)C1=CC=C(C=C1)OC

InChI

InChI=1S/C10H12O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-7H,1H2,2-3H3

InChIKey

XCTSGGVBLWBSIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1712-69-2

CID: 259414

Formula: C10H12O

MW: 148.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.20
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	148.088815002
Monoisotopic Mass	148.088815002
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
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
OR6453-01	4-Isopropylanisole
OR1098104	4-Bromo-3-isopropylanisole
OR1098063	2-Bromo-4-isopropylanisole
OR400664	4-Bromo-2-isopropylanisole
OR1010506-01	2-Isopropylanisole
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol

Catalog	Name
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine
FT77427	4,4,4-Trifluorovaline
AAA46134	4,4,4-Trifluorobutanamide