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1257397-40-2 | Benzeneacetic acid, 4-formyl-3-hydroxy-, methyl ester
CAS No: 1257397-40-2 Catalog No: AG000OLM MDL No:MFCD12756487
Product Description
Catalog Number:
AG000OLM
Chemical Name:
Benzeneacetic acid, 4-formyl-3-hydroxy-, methyl ester
CAS Number:
1257397-40-2
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD12756487
IUPAC Name:
methyl 2-(4-formyl-3-hydroxyphenyl)acetate
InChI:
InChI=1S/C10H10O4/c1-14-10(13)5-7-2-3-8(6-11)9(12)4-7/h2-4,6,12H,5H2,1H3
InChI Key:
SVYFCXXBORRNPX-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)O)C=O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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