Products for Research Use Only
RegisterLogin

5- (Hydroxymethyl) -2-methylbenzonitrile

CAT: 0127-OR1091836-01Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1091836-01Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
315188-34-2
MDL Number
MFCD18394342
Purity
97%
Smiles
C1 (c (ccc (c1) CO) C) C#N

Chemical Information

5-(Hydroxymethyl)-2-methylbenzonitrile
CAS Number315188-34-2
PubChem CID18187244
IUPAC Name5-(hydroxymethyl)-2-methylbenzonitrile
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP1.1
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity170
SMILES
CC1=C(C=C(C=C1)CO)C#N
InChI
InChI=1S/C9H9NO/c1-7-2-3-8(6-11)4-9(7)5-10/h2-4,11H,6H2,1H3
InChIKey
DLVDZDBXYLLIGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Hydroxymethyl)-2-methylbenzonitrile
CAS: 315188-34-2
CID: 18187244
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area44 Ų
Heavy Atom Count11
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
OR1080111-013- (Hydroxymethyl) -5-methylbenzonitrile
OR1057811-014- (Hydroxymethyl) -3-methylbenzonitrile
OR10922745-Acetyl-2-methylbenzonitrile
OR1058472-012-Formyl-5-methylbenzonitrile
OR345378-012-Amino-5-methylbenzonitrile
OR61314-012-Bromo-5-methylbenzonitrile
OR9448865-Formyl-2-methylbenzonitrile
OR345268-015-Bromo-2-methylbenzonitrile
OR1086101-015- (Ethylthio) -2-methylbenzonitrile
OR1007304-015-Hydroxy-2-methylbenzonitrile

Alternative Products

CatalogName
CJA09407-014- (Hydroxymethyl) -3-methylbenzonitrile
HY-W5632722- (Hydroxymethyl) cyclopropanecarbonitrile
IDA278862- (Hydroxymethyl) chroman
4222612α-Hydroxymethyl Ethisterone
4183502-Hydroxymethyl Atomoxetiene
414252-012- (Hydroxymethyl) benzonitrile
HY-78975-012- (Hydroxymethyl) -pyrimidine
TRC-H949130-5MG2-Hydroxymethyl Rilpivirine
TRC-H947745-5MG2-Hydroxymethyl Loratadine
TRC-H947110-500MG2-(Hydroxymethyl)benzonitrile

Popular Products