4-Methyl-3-phenylbenzaldehyde

CAT: 0127-OR1080755-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1080755-01Size:250 mg

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CAS Number

1175987-92-4

MDL Number

MFCD11933353

Purity

95%

Smiles

C1 (c (ccc (c1) C=O) C) c1ccccc1

Chemical Information

4-Methyl-3-phenylbenzaldehyde

CAS Number	1175987-92-4
PubChem CID	39231607
IUPAC Name	4-methyl-3-phenylbenzaldehyde
Molecular Formula	C14H12O
Molecular Weight	196.24
XLogP	3.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	205

SMILES

CC1=C(C=C(C=C1)C=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12O/c1-11-7-8-12(10-15)9-14(11)13-5-3-2-4-6-13/h2-10H,1H3

InChIKey

LJDUSQIIXUVHPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1175987-92-4

CID: 39231607

Formula: C14H12O

MW: 196.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.24
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	196.088815002
Monoisotopic Mass	196.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	205
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
OR1048256-01	3-Chloro-4-phenylbenzaldehyde
PC1024420-01	2-Fluoro-4-methyl-5-phenylbenzaldehyde
PC1025375	4-Fluoro-3-phenylbenzaldehyde
OR1090816	2-Methyl-5-phenylbenzaldehyde
PC1023770-01	2-Fluoro-3-phenylbenzaldehyde
PC1015351-01	2,6-Difluoro-3-phenylbenzaldehyde
OR110363	Methyl 4-methyl-3-nitrobenzoate
OR30249-01	Methyl 3-methyl-4-nitrobenzoate
OR4811	Methyl 4-methyl-3-benzyloxybenzoate
OR60032	Methyl 4-{4-[ (4-methoxybenzoyl) amino]-3-nitrophenyl}-3-methyl-4-oxobutanoate

Catalog	Name
287913-01	3-Phenylbenzaldehyde
HCA59244-01	3-Chloro-4-phenylbenzaldehyde
FP70129-01	4-Phenylbenzaldehyde oxime
232127-01	3-Phenylbenzaldehyde 98+% (GC)
TNA60382-01	2-Methoxy-4-phenylbenzaldehyde
IHA43680-01	2-Fluoro-4-phenylbenzaldehyde
AN EU 3008-01	2-hydroxy-3-phenylbenzaldehyde
AN EU 3007-01	2-methoxy-3-phenylbenzaldehyde
288088-01	2-Phenylbenzaldehyde
230669-01	2-Phenylbenzaldehyde ≥95%