1,3-Dihydroxypropan-2-yl 4-Hydroxybenzoate

CAT: 1596-AR-B06673-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06673-01Size:10 Units

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CAS Number

263552-76-7

Molecular Formula

C10H12O5

Molecular Weight

212.20

API Name

Benzoic acid

Chemical Information

1,3-Dihydroxypropan-2-yl 4-hydroxybenzoate

CAS Number	263552-76-7
PubChem CID	17843566
IUPAC Name	1,3-dihydroxypropan-2-yl 4-hydroxybenzoate
Molecular Formula	C10H12O5
Molecular Weight	212.20
XLogP	0.1
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	194

SMILES

C1=CC(=CC=C1C(=O)OC(CO)CO)O

InChI

InChI=1S/C10H12O5/c11-5-9(6-12)15-10(14)7-1-3-8(13)4-2-7/h1-4,9,11-13H,5-6H2

InChIKey

QSYFNLPGAMMYBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 263552-76-7

CID: 17843566

Formula: C10H12O5

MW: 212.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.20
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	212.06847348
Monoisotopic Mass	212.06847348
Topological Polar Surface Area	87 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	194
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
AR-B06677-01	2,3-Dihydroxypropyl 4-Hydroxybenzoate
AR-S01101-01	3-hydroxybutan-2-yl 2-hydroxybenzoate
AR-M04488-01	Propyl 3-Bromo-4-Hydroxybenzoate
AR-I01067-01	1,3-Dihydroxyprop-2-yl 2- (4-Isobutylphenyl) Propanonate
AR-P01182	Benzyl 4-Hydroxybenzoate
AR-P01185	Isopropyl 4-hydroxybenzoate
AR-P01183-01	Pentyl 4-Hydroxybenzoate
AR-P01184	Phenyl 4-Hydroxybenzoate
AR-P31169-01	Iso-Butyl 4-Hydroxybenzoate-2,3,5,6-d4
AR-D01356-01	2-carbamoylphenyl 2-hydroxybenzoate

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