2-ethyl-5-methylbenzaldehyde

CAT: 0127-OR1096701-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1096701-01Size:250 mg

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CAS Number

1289169-00-1

MDL Number

MFCD29121077

Purity

97%

Smiles

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

Chemical Information

2-Ethyl-5-methylbenzaldehyde

CAS Number	1289169-00-1
PubChem CID	57704572
IUPAC Name	2-ethyl-5-methylbenzaldehyde
Molecular Formula	C10H12O
Molecular Weight	148.20
XLogP	2.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	131

SMILES

CCC1=C(C=C(C=C1)C)C=O

InChI

InChI=1S/C10H12O/c1-3-9-5-4-8(2)6-10(9)7-11/h4-7H,3H2,1-2H3

InChIKey

IYSGNXJWSGJVOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1289169-00-1

CID: 57704572

Formula: C10H12O

MW: 148.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.20
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	148.088815002
Monoisotopic Mass	148.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	131
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
OR1091823-01	3-ethyl-5-methylbenzaldehyde
PC1017055-01	3-Ethyl-2-fluoro-5-methylbenzaldehyde
PC1017157-01	5-Ethyl-2-fluoro-3-methylbenzaldehyde
OR1080302	2-Ethyl-6-methylbenzaldehyde
OR1082090-01	3-ethyl-2-methylbenzaldehyde
OR1089115-01	4-Chloro-3-ethyl-5-methylbenzaldehyde
OR1094636-01	4-ethoxy-3-ethyl-5-methylbenzaldehyde
OR1092384-01	3-Ethyl-4-hydroxy-5-methylbenzaldehyde
PC1017099-01	3-Ethyl-4-fluoro-5-methylbenzaldehyde
OR1094625-01	3-ethyl-4-methoxy-5-methylbenzaldehyde

Catalog	Name
FH05730-01	2-Hydroxy-5-methylbenzaldehyde
HAA08319-01	2-Methoxy-5-methylbenzaldehyde
XFA24930-01	2- (Difluoromethoxy) -5-methylbenzaldehyde
416938-01	2-Chloro-5-methylbenzaldehyde
sc-213809	2-Fluoro-5-methylbenzaldehyde
GCA72409	5-Methoxy-2-methylbenzaldehyde
FF64024	5-Fluoro-2-methylbenzaldehyde
sc-495871	5-Bromo-2-methylbenzaldehyde
QCA87426-01	5-iodo-2-methylbenzaldehyde
sc-483594	5-Chloro-2-methylbenzaldehyde