CAS
58828-83-4 Purity
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58828-83-4 Purity
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3-Hydroxycinnamic acid
CAS
588-30-7
Catalog Number
ACM588307
Category
Other Products
Molecular Weight
164.16
Molecular Formula
C9H8O3
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Specification
Synonyms
3-Hydroxy-3-(4-hydroxyphenyl)propionic acid
IUPAC Name
(E)-3-(3-Hydroxyphenyl)prop-2-enoic acid
Canonical SMILES
C1=CC(=CC(=C1)O)C=CC(=O)O
InChI
InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
InChI Key
KKSDGJDHHZEWEP-SNAWJCMRSA-N
Boiling Point
373.2ºC at 760mmHg
Melting Point
193-195 °C
Flash Point
193.7ºC
Density
1.329g/cm³
EC Number
604-589-0
Exact Mass
164.047344113
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
2
Isomeric SMILES
C1=CC(=CC(=C1)O)/C=C/C(=O)O
Monoisotopic Mass
164.047344113
Physical State
Solid
Safety Description
S22-S24/25-S36-S26
Topological Polar Surface Area
57.5 Ų
WGK Germany
3
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