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52010-97-6 | 4-(Hydroxymethyl)benzaldehyde
CAS No: 52010-97-6 Catalog No: AG0037C1 MDL No:MFCD11870191
Product Description
Catalog Number:
AG0037C1
Chemical Name:
4-(Hydroxymethyl)benzaldehyde
CAS Number:
52010-97-6
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
MDL Number:
MFCD11870191
IUPAC Name:
4-(hydroxymethyl)benzaldehyde
InChI:
InChI=1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2
InChI Key:
ZFHUHPNDGVGXMS-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)C=O
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.052g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.15g/mol
Monoisotopic Mass:
136.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| A hand-held fiber-optic implement for the site-specific delivery of photosensitizer and singlet oxygen. | Photochemistry and photobiology 20110101 |
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