4-Methylbenzaldehyde Oxime

CAT: 0127-OR1078682-01Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1078682-01Size:200 mg

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CAS Number

3235-02-7

Synonyms

4-Methylbenzaldoxime / p-Tolualdoxime

MDL Number

MFCD01235928

Purity

>98.0%

Smiles

CC1=CC=C (C=C1) C=NO

Chemical Information

4-Methylbenzaldehyde oxime

CAS Number	3235-02-7
PubChem CID	5372131
IUPAC Name	(NE)-N-[(4-methylphenyl)methylidene]hydroxylamine
Molecular Formula	C8H9NO
Molecular Weight	135.16
XLogP	2.4
Topological Polar Surface Area	32.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	114

SMILES

CC1=CC=C(C=C1)/C=N/O

InChI

InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3/b9-6+

InChIKey

SRNDYVBEUZSFEZ-RMKNXTFCSA-N

Chemical Structure

2D Structure

CAS: 3235-02-7

CID: 5372131

Formula: C8H9NO

MW: 135.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.16
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	135.068413911
Monoisotopic Mass	135.068413911
Topological Polar Surface Area	32.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	114
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1096527	3-Bromo-5-methylbenzaldehyde oxime
OR1087651-01	(E) -5-chloro-2-methylbenzaldehyde oxime
OR61250-01	4-Methylbenzaldehyde
PC1025349-01	2-chloro-6-fluoro-3-methylbenzaldehyde oxime
OR1044227-01	4-Methylbenzaldehyde 2,4-dinitrophenylhydrazone
PC1025540	4- (4-Fluorophenoxy) -3-methylbenzaldehyde
OR1099219	2-Ethoxy-4-methylbenzaldehyde
OR1098263	3-Isopropoxy-4-methylbenzaldehyde
OR1096307	4-Iodo-2-methylbenzaldehyde
OR1094621-01	2- (cyclopropylmethoxy) -4-methylbenzaldehyde

Catalog	Name
sc-277520	4-methylbenzaldehyde oxime
FM69804-01	3-Methylbenzaldehyde oxime
FD67991-01	2,6-Dimethoxy-4-methylbenzaldehyde oxime
KCA22152-01	4-Hydroxybenzaldehyde oxime
HY-135325-01	4-Hydroxyacetophenone oxime
013315	4’-Hydroxyacetophenone Oxime
MBS6057794-01	4'-Hydroxyacetophenone Oxime
sc-254705	4-Methylbenzamide oxime
CSB-DT4920	4-Chloronicotinaldehyde oxime
FP70129-01	4-Phenylbenzaldehyde oxime