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Substance Name: Vanilmandelic acid
RN: 55-10-7
UNII: 0DQI268449
InChIKey: CGQCWMIAEPEHNQ-UHFFFAOYSA-N
Note
- A 3-O-methyl ether of 3,4-dihydroxymandelic acid. It is an end-stage metabolite of CATECHOLAMINES; EPINEPHRINE; and NOREPINEPHRINE.
Molecular Formula
- C9-H10-O5
Molecular Weight
- 198.173
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Names and Synonyms
Name of Substance
- Vanilmandelic acid
MeSH Heading
- Vanilmandelic acid
Synonyms
- EINECS 200-224-0
- UNII-0DQI268449
- Vanilmandelic acid
Systematic Names
- 4-Hydroxy-3-methoxymandelic acid
- Benzeneacetic acid, alpha,4-dihydroxy-3-methoxy-
Registry Numbers
CAS Registry Number
- 55-10-7
FDA UNII
- 0DQI268449
Other Registry Number
- 2394-20-9
System Generated Number
- 0000055107
Structure Descriptors
InChI
InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)InChIKey
CGQCWMIAEPEHNQ-UHFFFAOYSA-NSmiles
COc1cc(ccc1O)Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 132 dec | deg C | EXP | |
| log P (octanol-water) | -0.090 | (none) | EST | |
| Atmospheric OH Rate Constant | 4.18E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.