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97856-19-4 | (1R-trans)-2-Formyl-4-hydroxy-3-methyl-alpha-methylene-2-cyclopentene-1-acetaldehyde
CAS No: 97856-19-4 Catalog No: AG005XPH MDL No:
Product Description
Catalog Number:
AG005XPH
Chemical Name:
(1R-trans)-2-Formyl-4-hydroxy-3-methyl-alpha-methylene-2-cyclopentene-1-acetaldehyde
CAS Number:
97856-19-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
(3S,5R)-3-hydroxy-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentene-1-carbaldehyde
InChI:
InChI=1S/C10H12O3/c1-6(4-11)8-3-10(13)7(2)9(8)5-12/h4-5,8,10,13H,1,3H2,2H3/t8-,10+/m1/s1
InChI Key:
HPPDWCXQOXACSB-SCZZXKLOSA-N
SMILES:
O=CC(=C)[C@H]1C[C@@H](C(=C1C=O)C)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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