| CAS Number | 52010-98-7 |
| Catalog Number | AG00D8PH(AGN-PC-00L20C) |
| Chemical Name | 3-(HYDROXYMETHYL)BENZALDEHYDE |
| IUPAC Name | 3-(hydroxymethyl)benzaldehyde |
| InChI | InChI=1S/C8H8O2/c9-5-7-2-1-3-8(4-7)6-10/h1-5,10H,6H2 |
| InChI Key | CDNQOMJEQKBLBN-UHFFFAOYSA-N |
| MDL Number | MFCD06797524 |
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.1479 |
| SMILES | O=CC1=CC=CC(CO)=C1 |
| Synonyms | 3-(HYDROXYMETHYL)BENZALDEHYDE,
52010-98-7,
3-hydroxymethylbenzaldehyde,
3-(hydroxymethyl)-benzaldehyde,
Benzaldehyde,3-(hydroxymethyl)-,
3-formylbenzyl alcohol,
3-hydroxymethyl-benzaldehyde,
SCHEMBL1405364,
CTK4J5261,
DTXSID80520852,
CDNQOMJEQKBLBN-UHFFFAOYSA-N,
FCH833287,
ZINC39402511,
AKOS006229333,
SY237876,
DB-013344,
FT-0764069,
MFCD06797524 (95%),
3- BENZALDEHYDE,
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| Complexity | 112 |
| 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 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number