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88448-44-6 | Butanediol, methylene-
CAS No: 88448-44-6 Catalog No: AG004HBH MDL No:
Product Description
Catalog Number:
AG004HBH
Chemical Name:
Butanediol, methylene-
CAS Number:
88448-44-6
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
IUPAC Name:
2-methylidenebutane-1,1-diol
InChI:
InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h5-7H,2-3H2,1H3
InChI Key:
CVMBVNYEEUYKQD-UHFFFAOYSA-N
SMILES:
CCC(=C)C(O)O
Properties
Complexity:
66.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
102.133g/mol
Monoisotopic Mass:
102.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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