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10024-56-3 | 2-Propenoic acid, 3-phenyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester, (S)- (9CI)
CAS No: 10024-56-3 Catalog No: AG0001CH MDL No:
Product Description
Catalog Number:
AG0001CH
Chemical Name:
2-Propenoic acid, 3-phenyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester, (S)- (9CI)
CAS Number:
10024-56-3
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
IUPAC Name:
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl (E)-3-phenylprop-2-enoate
InChI:
InChI=1S/C19H24O2/c1-15-9-12-17(13-10-15)19(2,3)21-18(20)14-11-16-7-5-4-6-8-16/h4-9,11,14,17H,10,12-13H2,1-3H3/b14-11+/t17-/m1/s1
InChI Key:
CKYQZYGVFMSSKH-GWKQRERASA-N
SMILES:
O=C(OC(C1CCC(=CC1)C)(C)C)C=Cc1ccccc1
EC Number:
233-023-1
UNII:
34L3BD999A
FEMA Number:
3051
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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