carbonic acid;1,4-xylene

C9H12O3 — CID 89415214

IUPACcarbonic acid;1,4-xylene
SMILESCc1ccc(C)cc1.O=C(O)O
InChIInChI=1S/C8H10.CH2O3/c1-7-3-5-8(2)6-4-7;2-1(3)4/h3-6H,1-2H3;(H2,2,3,4)
InChIKeyCDYVOSGXDQUYOT-UHFFFAOYSA-N
MW168.19 g/mol
LogP2.53
Rot. Bonds

About carbonic acid;1,4-xylene

carbonic acid;1,4-xylene (PubChem CID 89415214) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is carbonic acid;1,4-xylene.

Molecular Properties

Compound Namecarbonic acid;1,4-xylene
PubChem CID89415214
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Namecarbonic acid;1,4-xylene
SMILESCc1ccc(C)cc1.O=C(O)O
InChIInChI=1S/C8H10.CH2O3/c1-7-3-5-8(2)6-4-7;2-1(3)4/h3-6H,1-2H3;(H2,2,3,4)
InChIKeyCDYVOSGXDQUYOT-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylpropanoic acid;1,4-xylene
CID 142846820
benzene;bis(1,4-xylene)
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CID 158355468
indigane;4-methylbenzoic acid
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alumane;4-methylbenzoic acid
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prop-2-enoic acid;1,4-xylene
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sodium 4-methylbenzoic acid
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2-aminoacetic acid;ethane;1,4-xylene
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acetic acid;4-methylbenzenethiol
CID 70542625
acetic acid;4-methylbenzoic acid
CID 68925030
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119
ethane;methanol;1,4-xylene
CID 171074418

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,4-xylene?
The IUPAC name of carbonic acid;1,4-xylene (CID 89415214) is carbonic acid;1,4-xylene.
What is the SMILES notation for carbonic acid;1,4-xylene?
The canonical SMILES for carbonic acid;1,4-xylene is Cc1ccc(C)cc1.O=C(O)O.
What is the InChIKey of carbonic acid;1,4-xylene?
The InChIKey is CDYVOSGXDQUYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.CH2O3/c1-7-3-5-8(2)6-4-7;2-1(3)4/h3-6H,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;1,4-xylene?
carbonic acid;1,4-xylene has a molecular weight of 168.19 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,4-xylene is sourced from PubChem (CID 89415214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).