formaldehyde;2-phenylacetic acid

C9H10O3 — CID 70638018

IUPACformaldehyde;2-phenylacetic acid
SMILESC=O.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.CH2O/c9-8(10)6-7-4-2-1-3-5-7;1-2/h1-5H,6H2,(H,9,10);1H2
InChIKeyWUISVFWCLXLXMK-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.13
Rot. Bonds2

About formaldehyde;2-phenylacetic acid

formaldehyde;2-phenylacetic acid (PubChem CID 70638018) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is formaldehyde;2-phenylacetic acid.

Molecular Properties

Compound Nameformaldehyde;2-phenylacetic acid
PubChem CID70638018
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Nameformaldehyde;2-phenylacetic acid
SMILESC=O.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.CH2O/c9-8(10)6-7-4-2-1-3-5-7;1-2/h1-5H,6H2,(H,9,10);1H2
InChIKeyWUISVFWCLXLXMK-UHFFFAOYSA-N
XLogP1.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
calcium;hydride;2-phenylacetic acid
CID 173132712
naphthalene;2-phenylacetic acid
CID 174965541
2-phenylacetic acid;propanedioic acid
CID 159349511
chloro hypochlorite;2-phenylacetic acid
CID 174297587
3-oxobutanoic acid;2-phenylacetic acid
CID 91330939
N-ethylethanamine;2-phenylacetic acid
CID 143630479
1,1-difluorocyclopropane;2-phenylacetic acid
CID 165403189
furan-2,5-dione;2-phenylacetic acid
CID 174828276

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-phenylacetic acid?
The IUPAC name of formaldehyde;2-phenylacetic acid (CID 70638018) is formaldehyde;2-phenylacetic acid.
What is the SMILES notation for formaldehyde;2-phenylacetic acid?
The canonical SMILES for formaldehyde;2-phenylacetic acid is C=O.O=C(O)Cc1ccccc1.
What is the InChIKey of formaldehyde;2-phenylacetic acid?
The InChIKey is WUISVFWCLXLXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.CH2O/c9-8(10)6-7-4-2-1-3-5-7;1-2/h1-5H,6H2,(H,9,10);1H2.
What are the key properties of formaldehyde;2-phenylacetic acid?
formaldehyde;2-phenylacetic acid has a molecular weight of 166.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-phenylacetic acid is sourced from PubChem (CID 70638018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).