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2039-93-2 | Benzene, (1-methylenepropyl)-
CAS No: 2039-93-2 Catalog No: AG002978 MDL No:MFCD00060866
Product Description
Catalog Number:
AG002978
Chemical Name:
Benzene, (1-methylenepropyl)-
CAS Number:
2039-93-2
Molecular Formula:
C10H12
Molecular Weight:
132.2023
MDL Number:
MFCD00060866
IUPAC Name:
but-1-en-2-ylbenzene
InChI:
InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
InChI Key:
SQHOHKQMTHROSF-UHFFFAOYSA-N
SMILES:
CCC(=C)c1ccccc1
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.206g/mol
Monoisotopic Mass:
132.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Rational design of styrene monooxygenase mutants with altered substrate preference. | Biotechnology letters 20110301 |
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