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Home > Other Heterocycles > 66546-26-7
66546-26-7 | 2-Propenoic acid, 3-(7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl)-
CAS No: 66546-26-7 Catalog No: AG00H8VZ MDL No:
Product Description
Catalog Number:
AG00H8VZ
Chemical Name:
2-Propenoic acid, 3-(7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl)-
CAS Number:
66546-26-7
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
3-(7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H8O3/c10-9(11)4-2-6-1-3-7-8(5-6)12-7/h1-5,7-8H,(H,10,11)
InChI Key:
QTEGTJYZSVZXNV-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC1=CC2C(C=C1)O2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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