4-pentylbenzaldehyde oxime

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CAS Number

175136-45-5

MDL Number

MFCD00673158

Smiles

CCCCCc1ccc (\C=N\O) cc1

Chemical Information

N-[(4-pentylphenyl)methylidene]hydroxylamine

CAS Number	175136-45-5
PubChem CID	2775695
IUPAC Name	N-[(4-pentylphenyl)methylidene]hydroxylamine
Molecular Formula	C12H17NO
Molecular Weight	191.27
XLogP	3.8
Topological Polar Surface Area	32.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	160

SMILES

CCCCCC1=CC=C(C=C1)C=NO

InChI

InChI=1S/C12H17NO/c1-2-3-4-5-11-6-8-12(9-7-11)10-13-14/h6-10,14H,2-5H2,1H3

InChIKey

RWRBIFAHYUXCHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 175136-45-5

CID: 2775695

Formula: C12H17NO

MW: 191.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.27
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	191.131014166
Monoisotopic Mass	191.131014166
Topological Polar Surface Area	32.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1043644-01	4-n-Pentylbenzaldehyde
OR1090426-01	2-methoxy-5-pentylbenzaldehyde
OR1090509-01	2-ethoxy-5-pentylbenzaldehyde
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OR47851-01	4-Bromobenzaldehyde oxime
OR945368	4-Biphenylaldehyde oxime
OR1078682-01	4-Methylbenzaldehyde Oxime
OR2489-01	4'-Aminoacetophenone oxime
OR1067010-01	4-Phenylcyclohexanone oxime
OR1101387-01	4-Hydroxybenzaldehyde Oxime

Catalog	Name
KCA22152-01	4-Hydroxybenzaldehyde oxime
HY-135325-01	4-Hydroxyacetophenone oxime
013315	4’-Hydroxyacetophenone Oxime
MBS6057794-01	4'-Hydroxyacetophenone Oxime
sc-277520	4-methylbenzaldehyde oxime
sc-254705	4-Methylbenzamide oxime
CSB-DT4920	4-Chloronicotinaldehyde oxime
FP70129-01	4-Phenylbenzaldehyde oxime
DAA71721	4-Methoxybenzaldehyde oxime
FA72057-01	4-Acetophenone oxime