2-[ (1,1-Dimethylethoxy) methyl]benzaldehyde

CAT: 0127-OR1101141-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1101141-01Size:250 mg

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CAS Number

414858-18-7

Purity

95%

Smiles

CC (C) (C) OCc1ccccc1C=O

Chemical Information

2-[(1,1-Dimethylethoxy)methyl]benzaldehyde

CAS Number	414858-18-7
PubChem CID	85820664
IUPAC Name	2-[(2-methylpropan-2-yl)oxymethyl]benzaldehyde
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	181

SMILES

CC(C)(C)OCC1=CC=CC=C1C=O

InChI

InChI=1S/C12H16O2/c1-12(2,3)14-9-11-7-5-4-6-10(11)8-13/h4-8H,9H2,1-3H3

InChIKey

RCHDGWDBJHQQRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 414858-18-7

CID: 85820664

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	181
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
OR1100747-01	Methyl 2-[ (1,1-dimethylethoxy) methyl]benzoate
OR1100841-01	Ethyl 2-[ (1,1-dimethylethoxy) methyl]benzoate
OR1082707-01	1-[4- (1,1-Dimethylethoxy) phenyl]-2-methyl-1-propanone
OR1095321-01	4- (2-Methyl-1-oxopropyl) benzaldehyde
OR1041937-01	2-Piperazineacetic acid, 1-[ (1,1-dimethylethoxy) carbonyl]-, methyl ester
OR1002852-01	Methyl 4-[ (1,1-Dimethylethoxy) carbonyl]benzeneundecynoate
OR1004180-01	Methyl 4-[ (1,1-Dimethylethoxy) carbonyl]benzeneundecanoate
OR1030985-01	Benzoic acid, 4-[[bis[ (1,1-dimethylethoxy) carbonyl]amino][[ (1,1- dimethylethoxy) carbonyl]imino]methyl]-, methyl ester
OR1052513-01	Methyl 2-[bis[ (1,1-dimethylethoxy) carbonyl]amino]-4-pyridinecarboxylate
OR1074904-01	Methyl 5- (bis ((1,1-dimethylethoxy) carbonyl) amino) -2-pyridinecarboxylate

Catalog	Name
158575	[ (1,1-Dimethylethoxy) methyl]-cyclopropane
AR-H01075-01	3-[ (1,1-Dimethylethoxy) methyl]heptane
FM179635-01	Methyl 3- (1,1-Dimethylethoxy) -2-hydroxypropanoate
165178	N-[ (1,1-Dimethylethoxy) carbonyl]serine Methyl Ester
TRC-D473045-5G	N-[(1,1-Dimethylethoxy)carbonyl]serine Methyl Ester
TRC-D472925-10G	N-[(1,1-Dimethylethoxy)carbonyl]glycine Methyl Ester
457466-01	N-[ (1,1-Dimethylethoxy) carbonyl]-4-[[ (1,1-dimethylethoxy) carbonyl]amino]-D-phenylalanine Methyl Ester
165177	N-[ (1,1-Dimethylethoxy) carbonyl]glycine Methyl Ester
FB184325-01	1-Bromo-3-[ (1,1-dimethylethoxy) methyl]-2-methylbenzene
408562-01	1-[1,1-Dimethylethoxy) carbonyl]-4-piperidinepropanoic Acid Methyl Ester