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88641-29-6 | Benzenaminium, 4-(2-carboxyethenyl)-N,N,N-trimethyl-
CAS No: 88641-29-6 Catalog No: AG00492B MDL No:
Product Description
Catalog Number:
AG00492B
Chemical Name:
Benzenaminium, 4-(2-carboxyethenyl)-N,N,N-trimethyl-
CAS Number:
88641-29-6
Molecular Formula:
C12H16NO2+
Molecular Weight:
206.2609
IUPAC Name:
[4-(2-carboxyethenyl)phenyl]-trimethylazanium
InChI:
InChI=1S/C12H15NO2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-9H,1-3H3/p+1
InChI Key:
ATTYIRRKUNBIKB-UHFFFAOYSA-O
SMILES:
OC(=O)C=Cc1ccc(cc1)[N+](C)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.118g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.265g/mol
Monoisotopic Mass:
206.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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