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141074-65-9 | 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, propyl ester
CAS No: 141074-65-9 Catalog No: AG001FTO MDL No:
Product Description
Catalog Number:
AG001FTO
Chemical Name:
2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, propyl ester
CAS Number:
141074-65-9
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
propyl 3-(2,5-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C12H14O4/c1-2-7-16-12(15)6-3-9-8-10(13)4-5-11(9)14/h3-6,8,13-14H,2,7H2,1H3
InChI Key:
HBPAMNXZMXNICS-UHFFFAOYSA-N
SMILES:
CCCOC(=O)C=Cc1cc(O)ccc1O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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