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16493-09-7 | 3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (1S)-
CAS No: 16493-09-7 Catalog No: AG001V61 MDL No:
Product Description
Catalog Number:
AG001V61
Chemical Name:
3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (1S)-
CAS Number:
16493-09-7
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]acetic acid
InChI:
InChI=1S/C10H16O2/c1-7-4-5-8(6-9(11)12)10(7,2)3/h4,8H,5-6H2,1-3H3,(H,11,12)/t8-/m0/s1
InChI Key:
RKLDHGIEBMSKAK-QMMMGPOBSA-N
SMILES:
OC(=O)C[C@@H]1CC=C(C1(C)C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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