CAS
94291-51-7 Purity
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94291-51-7 Purity
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3-Butoxy-2-oxobutyraldehyde
CAS
94291-55-1
Catalog Number
ACM94291551
Category
Other Products
Molecular Weight
158.194960 [g/mol]
Molecular Formula
C8H14O3
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Specification
Synonyms
3-Butoxy-2-oxobutyraldehyde, EINECS 304-879-4, CID3024274, 94291-55-1
IUPAC Name
3-butoxy-2-oxobutanal
Canonical SMILES
CCCCOC(C)C(=O)C=O
InChI Key
OITUYDJHTTVPLA-UHFFFAOYSA-N
Boiling Point
196ºC at 760mmHg
Flash Point
73.7ºC
Density
0.977g/cm³
EC Number
304-879-4
Exact Mass
158.09400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3-Butoxy-2-oxobutyraldehyde?
The molecular formula of 3-Butoxy-2-oxobutyraldehyde is C8H14O3.
When was 3-Butoxy-2-oxobutyraldehyde first created in the database?
3-Butoxy-2-oxobutyraldehyde was first created in the database on August 8, 2005.
What is the molecular weight of 3-Butoxy-2-oxobutyraldehyde?
The molecular weight of 3-Butoxy-2-oxobutyraldehyde is 158.19 g/mol.
What is the InChIKey of 3-Butoxy-2-oxobutyraldehyde?
The InChIKey of 3-Butoxy-2-oxobutyraldehyde is OITUYDJHTTVPLA-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3-Butoxy-2-oxobutyraldehyde have?
3-Butoxy-2-oxobutyraldehyde has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 3-Butoxy-2-oxobutyraldehyde?
The XLogP3-AA value of 3-Butoxy-2-oxobutyraldehyde is 1.1.
How many hydrogen bond acceptor counts does 3-Butoxy-2-oxobutyraldehyde have?
3-Butoxy-2-oxobutyraldehyde has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 3-Butoxy-2-oxobutyraldehyde?
The topological polar surface area of 3-Butoxy-2-oxobutyraldehyde is 43.4 Ų.
How many rotatable bond counts does 3-Butoxy-2-oxobutyraldehyde have?
3-Butoxy-2-oxobutyraldehyde has 6 rotatable bond counts.
Is 3-Butoxy-2-oxobutyraldehyde a canonicalized compound?
Yes, 3-Butoxy-2-oxobutyraldehyde is a canonicalized compound according to PubChem.
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94291-53-9 Purity
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