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202798-06-9 | Benzoic acid, 4-(1E)-1-penten-1-yl-
CAS No: 202798-06-9 Catalog No: AG0028FE MDL No:
Product Description
Catalog Number:
AG0028FE
Chemical Name:
Benzoic acid, 4-(1E)-1-penten-1-yl-
CAS Number:
202798-06-9
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
4-[(E)-pent-1-enyl]benzoic acid
InChI:
InChI=1S/C12H14O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h4-9H,2-3H2,1H3,(H,13,14)/b5-4+
InChI Key:
WPYZZVKPJHDAOE-SNAWJCMRSA-N
SMILES:
CCC/C=C/c1ccc(cc1)C(=O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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