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Structure

2-(2-Hydroxybutoxy)butan-1-ol

CAS
98072-12-9
Catalog Number
ACM98072129
Category
Other Products
Molecular Weight
162.226720 [g/mol]
Molecular Formula
C8H18O3

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Specification

Synonyms
2-(2-Hydroxybutoxy)butan-1-ol, EINECS 308-461-2, CID113427, 98072-12-9
IUPAC Name
2-(2-hydroxybutoxy)butan-1-ol
Canonical SMILES
CCC(CO)OCC(CC)O
InChI Key
MVEWAQOGSDLLAT-UHFFFAOYSA-N
Boiling Point
268.1ºC at 760mmHg
Flash Point
115.9ºC
Density
0.997g/cm³
EC Number
308-461-2
Exact Mass
162.12600
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 2-(2-Hydroxybutoxy)butan-1-ol?

The molecular formula is C8H18O3.

When was 2-(2-Hydroxybutoxy)butan-1-ol created and modified in PubChem?

It was created on 2005-08-08 and modified on 2023-12-30.

What is the IUPAC name of 2-(2-Hydroxybutoxy)butan-1-ol?

The IUPAC name is 2-(2-hydroxybutoxy)butan-1-ol.

What is the InChIKey of 2-(2-Hydroxybutoxy)butan-1-ol?

The InChIKey is MVEWAQOGSDLLAT-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2-(2-Hydroxybutoxy)butan-1-ol have?

It has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of 2-(2-Hydroxybutoxy)butan-1-ol?

The XLogP3-AA value is 0.6.

What is the topological polar surface area value of 2-(2-Hydroxybutoxy)butan-1-ol?

The topological polar surface area value is 49.7 Ų.

How many rotatable bond counts does 2-(2-Hydroxybutoxy)butan-1-ol have?

It has 6 rotatable bond counts.

Is 2-(2-Hydroxybutoxy)butan-1-ol considered a canonicalized compound?

Yes, it is canonicalized.

What is the exact mass and monoisotopic mass of 2-(2-Hydroxybutoxy)butan-1-ol?

The exact mass and monoisotopic mass are both 162.125594432 g/mol.

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