Phenylmethyl hydrogen carbonate

HCID 2285
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Basic information

CAS
39608-52-1
Standard SMILES
O=C(O)OCc1ccccc1
InChIKey
NJAPCAIWQRPQPY-UHFFFAOYSA-N
Molecular formula
C8H8O3
Average molar mass
152.15 g/mol
Monoisotopic mass
152.04734411

Names & identifiers

Preferred name
Phenylmethyl hydrogen carbonate
IUPAC
benzyl hydrogen carbonate
English name
Linezolid Impurity 51
Molecular formula
C8H8O3
Molecular weight
152.15

Names & synonyms

39608-52-1Phenylmethyl hydrogen carbonateRefChem:369907benzyl hydrogen carbonateCARBONIC ACID MONOBENZYL ESTERLinezolid Impurity 39cbz-waterSCHEMBL78553SCHEMBL243766NJAPCAIWQRPQPY-UHFFFAOYSA-NDTXSID301303864Q27458392
Show more names
Linezolid Impurity 51Carbonic acid, mono(phenylmethyl) ester

Database identifiers

CAS
39608-52-1
PubChem CID
2285
DTXSID
DTXSID301303864
Nikkaji
J2.089.715E

Properties

Computed structural properties

XLogP
2
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
11

Chemistry & industry

Suppliers17 total

济南百隆化学有限公司[email protected] · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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CAS 39608-52-1 Phenylmethyl hydrogen carbonate (HCID 2285)｜Huagongshe