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126924-66-1 | 2-Oxiranecarboxylic acid, 3-heptyl-, (2R,3S)-rel-
CAS No: 126924-66-1 Catalog No: AG000THP MDL No:
Product Description
Catalog Number:
AG000THP
Chemical Name:
2-Oxiranecarboxylic acid, 3-heptyl-, (2R,3S)-rel-
CAS Number:
126924-66-1
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
3-heptyloxirane-2-carboxylic acid
InChI:
InChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9(13-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChI Key:
JYAJAIKIBSECPS-UHFFFAOYSA-N
SMILES:
CCCCCCC[C@@H]1O[C@H]1C(=O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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