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4313-57-9 | 1-METHYL-1,4-CYCLOHEXADIENE
CAS No: 4313-57-9 Catalog No: AG003EGY MDL No:MFCD00001538
Product Description
Catalog Number:
AG003EGY
Chemical Name:
1-METHYL-1,4-CYCLOHEXADIENE
CAS Number:
4313-57-9
Molecular Formula:
C7H10
Molecular Weight:
94.1543
MDL Number:
MFCD00001538
IUPAC Name:
1-methylcyclohexa-1,4-diene
InChI:
InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3
InChI Key:
QDXQAOGNBCOEQX-UHFFFAOYSA-N
SMILES:
CC1=CCC=CC1
EC Number:
224-329-6
UNII:
C2C4JK5I2M
NSC Number:
74127
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.078g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.157g/mol
Monoisotopic Mass:
94.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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