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101376-74-3 | 2-Butenal, 2-methyl-4-(phenylmethoxy)-, (2E)-
CAS No: 101376-74-3 Catalog No: AG0004BU MDL No:
Product Description
Catalog Number:
AG0004BU
Chemical Name:
2-Butenal, 2-methyl-4-(phenylmethoxy)-, (2E)-
CAS Number:
101376-74-3
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
2-methyl-4-phenylmethoxybut-2-enal
InChI:
InChI=1S/C12H14O2/c1-11(9-13)7-8-14-10-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3
InChI Key:
DCVWTVWAMAMRST-UHFFFAOYSA-N
SMILES:
O=C/C(=C/COCc1ccccc1)/C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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