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1385696-64-9 | 4-(Cyclopropylmethyl)oxane-4-carboxylicacid
CAS No: 1385696-64-9 Catalog No: AG01FAYL MDL No:
Product Description
Catalog Number:
AG01FAYL
Chemical Name:
4-(Cyclopropylmethyl)oxane-4-carboxylicacid
CAS Number:
1385696-64-9
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
4-(cyclopropylmethyl)oxane-4-carboxylic acid
InChI:
InChI=1S/C10H16O3/c11-9(12)10(7-8-1-2-8)3-5-13-6-4-10/h8H,1-7H2,(H,11,12)
InChI Key:
MEPSKPDZZIECFF-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCOCC1)CC1CC1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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