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123064-80-2 | 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, methyl ester, (2E)-
CAS No: 123064-80-2 Catalog No: AG000K06 MDL No:MFCD00132932
Product Description
Catalog Number:
AG000K06
Chemical Name:
2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, methyl ester, (2E)-
CAS Number:
123064-80-2
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00132932
IUPAC Name:
methyl 3-(2,5-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3
InChI Key:
BQCNSTFWSKOWMA-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1cc(O)ccc1O
Properties
Complexity:
224
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:
2
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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