4'- (Hydroxymethyl) acetophenone

CAT: 0127-OR18571-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR18571-01Size:100 mg

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CAS Number

75633-63-5

Synonyms

1-[4- (Hydroxymethyl) phenyl]ethan-1-one, 4-Acetylbenzyl alcohol

MDL Number

MFCD06202822

Purity

95%

Smiles

CC(=O)c1ccc(CO)cc1

Chemical Information

1-(4-(Hydroxymethyl)phenyl)ethanone

CAS Number	75633-63-5
PubChem CID	585264
IUPAC Name	1-[4-(hydroxymethyl)phenyl]ethanone
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	0.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

CC(=O)C1=CC=C(C=C1)CO

InChI

InChI=1S/C9H10O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,10H,6H2,1H3

InChIKey

RRENWXJYWGKSKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75633-63-5

CID: 585264

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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
PC7433E-01	4'- (Trifluoromethoxy) acetophenone
PC8042-01	4'- (Trifluoromethylthio) acetophenone
PC6195-01	4'- (Trifluoroacetyl) acetophenone
OR1654-01	4'- (Benzyloxy) acetophenone
OR8170-01	4'- (Ethylsulphonyl) acetophenone
OR1543	4'- (Methylsulphonyl) acetophenone
PC7490-01	4'- (Trifluoromethyl) acetophenone
PC302967-01	4'- (Pentafluorosulfur) acetophenone
OR72845-01	4- (4-Tolylthio) acetophenone
OR24033	4'- (4-Methoxyphenoxy) acetophenone

Catalog	Name
263708-01	2-Bromo-4-hydroxy-3- (hydroxymethyl) -acetophenone
C6969-500	Acetophenone