benzyl acetate;carbamic acid

C10H13NO4 — CID 159542161

IUPACbenzyl acetate;carbamic acid
SMILESCC(=O)OCc1ccccc1.NC(=O)O
InChIInChI=1S/C9H10O2.CH3NO2/c1-8(10)11-7-9-5-3-2-4-6-9;2-1(3)4/h2-6H,7H2,1H3;2H2,(H,3,4)
InChIKeyMEIUZBCZMMRKOO-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.37
Rot. Bonds2

About benzyl acetate;carbamic acid

benzyl acetate;carbamic acid (PubChem CID 159542161) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is benzyl acetate;carbamic acid.

Molecular Properties

Compound Namebenzyl acetate;carbamic acid
PubChem CID159542161
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namebenzyl acetate;carbamic acid
SMILESCC(=O)OCc1ccccc1.NC(=O)O
InChIInChI=1S/C9H10O2.CH3NO2/c1-8(10)11-7-9-5-3-2-4-6-9;2-1(3)4/h2-6H,7H2,1H3;2H2,(H,3,4)
InChIKeyMEIUZBCZMMRKOO-UHFFFAOYSA-N
XLogP1.37
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl acetate;carbamic acid?
The IUPAC name of benzyl acetate;carbamic acid (CID 159542161) is benzyl acetate;carbamic acid.
What is the SMILES notation for benzyl acetate;carbamic acid?
The canonical SMILES for benzyl acetate;carbamic acid is CC(=O)OCc1ccccc1.NC(=O)O.
What is the InChIKey of benzyl acetate;carbamic acid?
The InChIKey is MEIUZBCZMMRKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.CH3NO2/c1-8(10)11-7-9-5-3-2-4-6-9;2-1(3)4/h2-6H,7H2,1H3;2H2,(H,3,4).
What are the key properties of benzyl acetate;carbamic acid?
benzyl acetate;carbamic acid has a molecular weight of 211.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl acetate;carbamic acid is sourced from PubChem (CID 159542161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).