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119644-15-4 | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-methylbutyl ester, (2E)-
CAS No: 119644-15-4 Catalog No: AG000PDY MDL No:
Product Description
Catalog Number:
AG000PDY
Chemical Name:
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 3-methylbutyl ester, (2E)-
CAS Number:
119644-15-4
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
3-methylbutyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C14H18O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-6,9-10,15-16H,7-8H2,1-2H3
InChI Key:
ARDWPGKUNNUACS-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)/C=C/c1ccc(c(c1)O)O)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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