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10032-08-3 | 2-Propenoic acid, 3-phenyl-, heptyl ester
CAS No: 10032-08-3 Catalog No: AG0001MQ MDL No:MFCD00427216
Product Description
Catalog Number:
AG0001MQ
Chemical Name:
2-Propenoic acid, 3-phenyl-, heptyl ester
CAS Number:
10032-08-3
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
MDL Number:
MFCD00427216
IUPAC Name:
heptyl (E)-3-phenylprop-2-enoate
InChI:
InChI=1S/C16H22O2/c1-2-3-4-5-9-14-18-16(17)13-12-15-10-7-6-8-11-15/h6-8,10-13H,2-5,9,14H2,1H3/b13-12+
InChI Key:
DCXNRXBLAGAHIL-OUKQBFOZSA-N
SMILES:
CCCCCCCOC(=O)C=Cc1ccccc1
EC Number:
600-064-5
UNII:
865A76T2CD
FEMA Number:
2551
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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