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132631-27-7 | Butanedioic acid, butylidene-, (2E)- (9CI)
CAS No: 132631-27-7 Catalog No: AG0010XO MDL No:
Product Description
Catalog Number:
AG0010XO
Chemical Name:
Butanedioic acid, butylidene-, (2E)- (9CI)
CAS Number:
132631-27-7
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
2-butylidenebutanedioic acid
InChI:
InChI=1S/C8H12O4/c1-2-3-4-6(8(11)12)5-7(9)10/h4H,2-3,5H2,1H3,(H,9,10)(H,11,12)
InChI Key:
ZZXACWDXWFBRCH-UHFFFAOYSA-N
SMILES:
CCC/C=C(/C(=O)O)\CC(=O)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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