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881832-37-7 | Carbonic acid, methyl 1-methyl-3-phenyl-2-propenyl ester
CAS No: 881832-37-7 Catalog No: AG004CMD MDL No:
Product Description
Catalog Number:
AG004CMD
Chemical Name:
Carbonic acid, methyl 1-methyl-3-phenyl-2-propenyl ester
CAS Number:
881832-37-7
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
methyl 4-phenylbut-3-en-2-yl carbonate
InChI:
InChI=1S/C12H14O3/c1-10(15-12(13)14-2)8-9-11-6-4-3-5-7-11/h3-10H,1-2H3
InChI Key:
SRGKQMIMFFOGAQ-UHFFFAOYSA-N
SMILES:
COC(=O)OC(C=Cc1ccccc1)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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