4-(1,1-Dimethylethyl)-α-oxobenzenepropanoic acid

Name: 4-(1,1-Dimethylethyl)-α-oxobenzenepropanoic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 100612-75-7
Cat. No. CS-0884442
Molecule weight220.26
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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*For research and further manufacturing use only, not for direct human use.

4-(1,1-Dimethylethyl)-α-oxobenzenepropanoic acid|CS-0884442

Structure of 100612-75-7

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General Information

CAS No. 100612-75-7
Cat. No. CS-0884442
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₆O₃
Molecular Weight 220.26
Synonym(s) None
SMILES O=C(C(CC1=CC=C(C(C)(C)C)C=C1)=O)O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 54.37
LogP 2.1803
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(1,1-Dimethylethyl)-α-oxobenzenepropanoic acid

CAS No. 100612-75-7

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