Phenyl Hydrogen Carbonate

CAT: 1299-RG-P080522-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-P080522-01Size:10 mg

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CAS Number

13932-55-3

Synonyms

Phenyl hydrogen carbonate

Molecular Formula

C7H6O3

Molecular Weight

138.12

Product Name Synonym

Phenyl hydrogen carbonate

Chemical Information

Monophenyl carbonate

CAS Number	13932-55-3
PubChem CID	66736
IUPAC Name	phenyl hydrogen carbonate
Molecular Formula	C7H6O3
Molecular Weight	138.12
XLogP	1.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

C1=CC=C(C=C1)OC(=O)O

InChI

InChI=1S/C7H6O3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)

InChIKey

QIIPQYDSKRYMFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13932-55-3

CID: 66736

Formula: C7H6O3

MW: 138.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.12
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	138.031694049
Monoisotopic Mass	138.031694049
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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
RG-B051465-01	Benzyl Hydrogen Carbonate
RG-E140475-01	Chloromethyl hydrogen carbonate
RG-E082506-01	Ethyl Hydrogen Carbonate
RG-A261341-01	4-Nitrophenyl Hydrogen Carbonate
RG-E141072-01	Phenyl trichloromethyl carbonate
RM-P052200-01	Pentoxyverine Hydrogen
RG-S052201-01	Sevelamer Carbonate
RG-D090223-01	Dibenzyl Carbonate
RG-D090505-01	Diethyl Carbonate
RG-B212039-01	Butyl Hydrogen Sulfate

Catalog	Name
40100200-1	Ammonium Hydrogen Carbonate
GE8414-5kg	Sodium hydrogen carbonate
GK1196-1kg	Potassium hydrogen carbonate
IN11651-01	Magnesium Hydrogen Carbonate