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83935-46-0 | 2-Penten-2-ol, 4-(phenylimino)-
CAS No: 83935-46-0 Catalog No: AG004V6S MDL No:
Product Description
Catalog Number:
AG004V6S
Chemical Name:
2-Penten-2-ol, 4-(phenylimino)-
CAS Number:
83935-46-0
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
4-anilinopent-3-en-2-one
InChI:
InChI=1S/C11H13NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h3-8,12H,1-2H3
InChI Key:
JLTWHWBUKGOPLH-UHFFFAOYSA-N
SMILES:
CC(=Nc1ccccc1)C=C(O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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