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88641-65-0 | 2-Propenoic acid, 3-(4-aminophenyl)-, dodecyl ester
CAS No: 88641-65-0 Catalog No: AG004A9L MDL No:
Product Description
Catalog Number:
AG004A9L
Chemical Name:
2-Propenoic acid, 3-(4-aminophenyl)-, dodecyl ester
CAS Number:
88641-65-0
Molecular Formula:
C21H33NO2
Molecular Weight:
331.4922
IUPAC Name:
dodecyl 3-(4-aminophenyl)prop-2-enoate
InChI:
InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-10-11-18-24-21(23)17-14-19-12-15-20(22)16-13-19/h12-17H,2-11,18,22H2,1H3
InChI Key:
FXOKFAAXJUKQKD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)C=Cc1ccc(cc1)N
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.251g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.5g/mol
Monoisotopic Mass:
331.251g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.1
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