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Structure

2,3-Dihydroxypropyl 4-hydroxybenzoate

CAS
93778-15-5
Catalog Number
ACM93778155
Category
Other Products
Molecular Weight
212.19928
Molecular Formula
C10H12O5

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Specification

Synonyms
EINECS 298-149-1, 2,3-Dihydroxypropyl 4-hydroxybenzoate, CID3022325, 93778-15-5
IUPAC Name
2,3-dihydroxypropyl 4-hydroxybenzoate
Canonical SMILES
C1=CC(=CC=C1C(=O)OCC(CO)O)O
InChI Key
BJLWPNKOAQTBGT-UHFFFAOYSA-N
Boiling Point
446.5ºC at 760mmHg
Flash Point
180.4ºC
Density
1.376g/cm³
EC Number
298-149-1
Exact Mass
212.06800
H-Bond Acceptor
5
H-Bond Donor
3
What is the PubChem CID for 2,3-Dihydroxypropyl 4-hydroxybenzoate?

The PubChem CID for 2,3-Dihydroxypropyl 4-hydroxybenzoate is 3022325.

What is the molecular formula of 2,3-Dihydroxypropyl 4-hydroxybenzoate?

The molecular formula of 2,3-Dihydroxypropyl 4-hydroxybenzoate is C10H12O5.

What is the molecular weight of 2,3-Dihydroxypropyl 4-hydroxybenzoate?

The molecular weight of 2,3-Dihydroxypropyl 4-hydroxybenzoate is 212.20 g/mol.

What is the IUPAC name of 2,3-Dihydroxypropyl 4-hydroxybenzoate?

The IUPAC name of 2,3-Dihydroxypropyl 4-hydroxybenzoate is 2,3-dihydroxypropyl 4-hydroxybenzoate.

What is the InChIKey of 2,3-Dihydroxypropyl 4-hydroxybenzoate?

The InChIKey of 2,3-Dihydroxypropyl 4-hydroxybenzoate is BJLWPNKOAQTBGT-UHFFFAOYSA-N.

How many hydrogen bond donor counts are present in 2,3-Dihydroxypropyl 4-hydroxybenzoate?

There are 3 hydrogen bond donor counts present in 2,3-Dihydroxypropyl 4-hydroxybenzoate.

What is the XLogP3 value of 2,3-Dihydroxypropyl 4-hydroxybenzoate?

The XLogP3 value of 2,3-Dihydroxypropyl 4-hydroxybenzoate is 0.8.

How many rotatable bond counts are present in 2,3-Dihydroxypropyl 4-hydroxybenzoate?

There are 5 rotatable bond counts present in 2,3-Dihydroxypropyl 4-hydroxybenzoate.

What is the topological polar surface area of 2,3-Dihydroxypropyl 4-hydroxybenzoate?

The topological polar surface area of 2,3-Dihydroxypropyl 4-hydroxybenzoate is 87 Å2.

Is 2,3-Dihydroxypropyl 4-hydroxybenzoate a canonicalized compound?

Yes, 2,3-Dihydroxypropyl 4-hydroxybenzoate is a canonicalized compound.

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