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Home > Other Heterocycles > 832111-00-9
832111-00-9 | 2-Propenoic acid, 3-(7-oxabicyclo[4.1.0]hept-3-en-3-yl)-, methyl ester
CAS No: 832111-00-9 Catalog No: AG004UXO MDL No:
Product Description
Catalog Number:
AG004UXO
Chemical Name:
2-Propenoic acid, 3-(7-oxabicyclo[4.1.0]hept-3-en-3-yl)-, methyl ester
CAS Number:
832111-00-9
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
methyl 3-(7-oxabicyclo[4.1.0]hept-3-en-3-yl)prop-2-enoate
InChI:
InChI=1S/C10H12O3/c1-12-10(11)5-3-7-2-4-8-9(6-7)13-8/h2-3,5,8-9H,4,6H2,1H3
InChI Key:
PIXIHOPYXPHHHV-UHFFFAOYSA-N
SMILES:
COC(=O)C=CC1=CCC2C(C1)O2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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