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101927-31-5 | 2-Propenoic acid, 2-methyl-, 3-(4-formylphenoxy)-2-hydroxypropyl ester
CAS No: 101927-31-5 Catalog No: AG0005ZB MDL No:
Product Description
Catalog Number:
AG0005ZB
Chemical Name:
2-Propenoic acid, 2-methyl-, 3-(4-formylphenoxy)-2-hydroxypropyl ester
CAS Number:
101927-31-5
Molecular Formula:
C14H16O5
Molecular Weight:
264.2738
IUPAC Name:
[3-(4-formylphenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
InChI:
InChI=1S/C14H16O5/c1-10(2)14(17)19-9-12(16)8-18-13-5-3-11(7-15)4-6-13/h3-7,12,16H,1,8-9H2,2H3
InChI Key:
NFTSOMSTHPHHET-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCC(COC(=O)C(=C)C)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.277g/mol
Monoisotopic Mass:
264.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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